data_1wj3_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 1wj3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.5 20.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.98 -36.86 2.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.787 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 82.59 -5.67 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.42 118.25 70.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.97 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.93 126.36 9.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.0 -178.74 38.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t30 54.54 26.65 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 94.6 t -64.3 92.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.5 m -106.7 159.93 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.9 p-90 -136.32 178.52 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -167.24 162.68 15.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.97 119.28 14.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -143.42 159.37 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' CG2' ' A' ' 32' ' ' THR . 47.4 m-20 46.38 -94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' THR . 50.2 p -153.7 42.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.25 174.0 12.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' HD21 ' A' ' 36' ' ' LEU . 24.8 t -123.87 106.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 36.7 mt -82.36 108.45 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD21 ' CG1' ' A' ' 34' ' ' VAL . 82.6 mt -96.84 149.16 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.87 139.62 18.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.9 p90 -155.93 152.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -179.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -104.0 160.68 14.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 18.8 t -122.44 122.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -115.0 120.13 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB3' ' CB ' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 43' ' ' ALA . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -86.8 131.52 34.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -71.02 162.65 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.525 HG13 ' CE1' ' A' ' 53' ' ' TYR . 60.3 t -90.63 117.81 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 -7.28 22.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.09 -177.79 47.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 91' ' ' ALA . 75.1 m-85 -143.32 160.65 40.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -114.87 116.85 29.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 23.5 t -89.52 101.1 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.9 m-85 -89.16 100.69 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 29.1 p90 -109.95 136.13 49.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -155.3 149.6 25.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.6 m -63.02 171.02 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.7 mt-30 -98.58 162.69 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 10.0 t -121.31 136.23 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.83 131.8 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -82.34 132.74 35.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.07 115.46 7.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -90.62 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -158.26 -177.69 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.26 5.85 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.3 p -126.16 178.36 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -166.77 170.46 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 mt-10 -143.94 116.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 57' ' ' TYR . 16.8 mt -111.59 -177.94 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -96.89 155.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 146.09 34.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 122.94 7.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -91.97 84.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 156.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.56 136.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.13 168.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 121.68 35.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 103' ' ' GLN . 1.1 mm -98.05 100.59 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.01 138.19 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -133.76 126.01 29.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.36 128.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -125.18 135.27 52.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -96.34 116.58 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -105.46 156.57 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.8 p -137.35 -171.45 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -13.48 58.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.06 -36.24 6.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.96 -160.48 29.41 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -179.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.76 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.91 -128.64 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m -105.79 153.47 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.413 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 8.0 p -101.91 124.52 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 p -59.38 -158.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.97 122.09 31.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 86' ' ' ILE . 4.6 pt20 -44.61 135.25 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -91.97 144.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -114.13 104.15 11.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.583 HG12 ' CE3' ' A' ' 27' ' ' TRP . 47.7 mt -111.63 111.91 54.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.98 143.0 28.6 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.18 41.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HG3' ' CB ' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.96 137.79 22.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.89 38.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -116.18 111.02 42.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.78 43.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.01 123.11 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.93 -173.31 39.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.9 t30 51.8 28.93 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 46.1 t -68.84 91.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -108.9 160.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 53.9 p-90 -136.05 178.54 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 107.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -167.31 165.07 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.58 118.72 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 HG21 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -144.17 158.09 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 32' ' ' THR . 14.1 m-20 50.11 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 34.7 p -156.87 42.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' CD ' HD22 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.56 174.72 13.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.6 t -118.12 107.41 21.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 30' ' ' THR . 18.8 mt -82.5 113.22 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' A' ' 87' ' ' ILE . 24.3 mt -96.97 155.27 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -162.69 123.17 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CD1' HG13 ' A' ' 89' ' ' VAL . 44.2 p90 -139.56 169.74 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -171.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.34 162.53 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.492 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 15.0 t -120.37 117.7 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -107.14 119.37 39.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.6 m -84.42 134.74 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -65.7 162.04 19.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.439 ' CG2' HG13 ' A' ' 41' ' ' VAL . 71.1 t -90.79 122.54 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.3 p -96.62 -10.77 26.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.72 -164.32 32.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 91' ' ' ALA . 63.2 m-85 -150.0 164.19 36.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 78.7 mttt -125.15 117.31 23.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 46.6 t -88.88 99.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 64.7 m-85 -87.59 100.82 13.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 28.4 p90 -111.04 135.74 51.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 6.0 ptm180 -156.42 143.5 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.0 m -61.41 170.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.4 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 2.1 mt-30 -98.41 175.18 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.1 t -136.9 133.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.73 128.53 54.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.3 133.92 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 t -153.53 123.76 7.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -92.52 21.96 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -128.28 -170.77 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -107.06 11.17 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 p -130.91 177.7 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.946 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.66 175.79 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 47.1 mt-10 -148.09 116.91 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -109.43 -178.06 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.35 -171.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -99.66 132.8 22.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.04 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.19 -53.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.56 164.25 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.59 141.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.82 176.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.89 121.56 32.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 mm -99.85 102.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.485 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -101.24 141.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -136.07 122.71 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG13 ' CD1' ' A' ' 38' ' ' TRP . 52.1 t -94.0 131.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -132.5 146.26 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -98.32 140.99 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.478 HG22 ' CA ' ' A' ' 53' ' ' TYR . 51.9 p -106.37 145.6 31.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' CD ' ' A' ' 18' ' ' PRO . 36.2 p -138.37 -175.49 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -22.36 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.91 -33.14 16.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.46 -131.31 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -174.88 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.43 -127.96 2.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -103.08 148.28 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -102.85 117.36 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -52.59 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 121.92 19.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -47.42 135.79 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.69 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -87.55 152.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -121.99 101.94 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.0 mt -113.65 99.76 50.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -75.04 172.33 16.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.2 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HG3' ' CB ' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 144.71 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.93 29.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -112.99 112.2 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.15 41.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.97 128.32 11.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.91 -175.19 29.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.46 21.98 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 104' ' ' ILE . 42.4 t -64.32 90.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 21.4 m -106.61 159.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.711 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.6 p-90 -132.05 178.54 6.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -169.17 162.42 10.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.54 119.06 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.72 144.66 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.41 ' O ' ' CG2' ' A' ' 32' ' ' THR . 3.9 m-20 52.44 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' THR . 75.1 p -153.6 46.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 179.6 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' CG1' HD21 ' A' ' 36' ' ' LEU . 47.5 t -134.95 103.94 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 53.5 mt -82.61 108.41 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD21 ' CG1' ' A' ' 34' ' ' VAL . 86.6 mt -96.62 147.7 23.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.9 m-80 -149.63 143.75 25.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.464 ' CG ' HG11 ' A' ' 89' ' ' VAL . 42.7 p90 -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -106.93 155.3 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 12.4 t -115.51 112.89 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -103.57 120.0 40.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 137.35 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.82 162.56 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.5 t -90.47 118.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.9 p -94.34 -16.55 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.17 -169.32 36.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 69.3 m-85 -145.48 173.83 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.746 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 43.4 mttt -128.41 124.13 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.559 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 41.7 t -95.79 96.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.1 m-85 -87.78 100.59 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 25.6 p90 -110.25 136.77 48.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -155.74 144.64 20.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.5 m -58.16 168.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 60.6 mt-30 -96.11 178.03 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.71 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 20.0 t -141.14 138.44 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -125.57 128.9 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -77.29 139.6 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.05 117.75 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -89.91 18.15 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 -172.54 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 7.49 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.16 -171.09 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.1 171.39 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 17.7 mt-10 -143.59 116.0 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 57' ' ' TYR . 14.3 mt -112.36 -178.3 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -96.18 153.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.99 144.0 94.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 129.08 11.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.57 -56.47 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' GLU . 4.8 mttt -145.65 163.87 33.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' LYS . 1.6 mt-10 60.53 144.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -53.08 175.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -132.04 121.41 23.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.585 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -100.22 105.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -104.48 133.32 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -128.05 128.2 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 38' ' ' TRP . 57.9 t -101.87 125.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.8 mttm -122.08 146.63 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -94.64 141.75 28.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.447 HG22 ' CA ' ' A' ' 53' ' ' TYR . 30.7 p -114.48 148.29 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 p -138.74 -168.88 2.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -12.16 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.51 -35.66 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.7 -136.35 4.68 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -172.56 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -140.33 -136.46 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m -93.36 153.74 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 5.1 p -105.81 128.23 53.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -70.33 165.91 21.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 123.7 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 86' ' ' ILE . 3.6 pt20 -51.84 136.17 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.711 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -87.46 137.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -108.1 100.92 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.513 HG12 ' CE3' ' A' ' 27' ' ' TRP . 84.3 mt -112.18 97.78 40.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.5 Cg_endo -74.97 162.62 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 11.0 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.4 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -21.39 15.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.759 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 57.86 16.65 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -107.02 114.88 61.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.38 42.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 132.96 15.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.81 -173.42 31.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t30 50.28 26.31 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 104' ' ' ILE . 42.0 t -63.07 96.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.51 149.95 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -131.94 178.92 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -171.24 167.22 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.88 112.56 8.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.8 t -152.15 161.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 43.17 39.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.8 OUTLIER 54.67 40.41 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -141.37 178.99 7.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.0 t -130.62 100.5 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 55.3 mt -83.01 106.14 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 77' ' ' LEU . 86.4 mt -96.22 145.55 25.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -156.31 122.58 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 73' ' ' THR . 45.8 p90 -134.15 171.43 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -173.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -108.8 155.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.85 119.65 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -117.55 124.22 48.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 43' ' ' ALA . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.3 m -96.79 138.35 34.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.23 161.17 30.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.508 HG12 ' CZ ' ' A' ' 53' ' ' TYR . 78.4 t -87.28 119.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -92.02 -12.54 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -179.33 -156.96 18.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' A' ' 52' ' ' GLY . 75.8 m-85 -155.96 166.54 33.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 47.2 mttt -126.8 116.81 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.554 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 35.5 t -89.58 100.08 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 43.9 m-85 -88.19 100.99 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD2' HD21 ' A' ' 77' ' ' LEU . 29.2 p90 -110.76 136.41 49.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -155.79 147.28 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.4 m -65.66 172.43 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 66' ' ' GLN . 11.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.0 mt-30 -105.02 171.18 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.7 t -124.7 146.25 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.554 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.19 130.78 41.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.88 135.29 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.56 113.1 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -83.89 52.28 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 179.36 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 30.0 p -94.29 9.46 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -118.98 177.4 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -176.91 167.7 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.5 mt-10 -144.28 117.5 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 57' ' ' TYR . 2.5 mt -114.84 170.96 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -78.41 177.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 148.27 67.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.19 84.1 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 152.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 64.07 140.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' HB3' ' A' ' 60' ' ' SER . 9.0 m-20 -52.94 178.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 121.7 21.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.11 106.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -103.42 142.21 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -136.41 123.27 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 38' ' ' TRP . 55.3 t -93.73 130.13 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -126.08 152.07 46.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.19 123.68 50.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 HG21 ' CA ' ' A' ' 53' ' ' TYR . 16.5 p -93.34 152.2 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -138.22 -170.72 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -26.13 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.87 -37.75 15.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.71 -135.03 4.04 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -179.24 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.31 -131.69 3.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -102.44 155.2 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.4 m -106.45 124.79 50.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 6.4 p -55.67 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.63 124.09 26.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.12 134.66 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -88.18 160.19 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -130.68 100.23 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.558 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.6 mt -114.71 102.41 54.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.89 30.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.81 39.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.77 18.96 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -104.97 113.97 64.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.51 42.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.1 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.47 -175.22 35.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 48.39 33.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 101' ' ' SER . 30.1 t -69.34 92.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 22.5 m -108.4 160.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.686 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.7 p-90 -134.24 178.64 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -167.2 162.29 15.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.98 120.75 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -138.65 145.29 40.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 50.8 -90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.9 p -152.31 45.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 177.98 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 t -133.47 103.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.5 mt -82.55 108.7 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 77.6 mt -96.73 143.97 27.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -146.55 139.81 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.512 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.9 p90 -156.19 154.8 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 179.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -98.8 162.54 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.2 t -124.71 112.34 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -108.05 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -91.1 119.97 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -65.58 165.17 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 74.6 t -87.3 119.06 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -92.62 -12.74 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.26 -155.61 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 60.7 m-85 -156.4 159.6 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 57.3 mttt -123.05 127.82 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.506 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 33.1 t -99.72 104.71 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . 46.4 m-85 -91.73 101.15 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.6 p90 -108.79 135.51 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -159.25 136.27 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 170.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 11.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 14.5 mt-30 -99.91 167.96 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.46 148.63 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.506 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.14 128.6 32.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.59 130.77 37.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.05 111.61 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -89.43 45.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -179.91 8.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -92.96 6.99 45.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.17 -179.35 5.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.86 173.17 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.3 mt-10 -143.84 115.85 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -113.39 -179.36 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.42 156.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -71.91 140.07 83.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 18.4 Cg_endo -74.97 157.49 42.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.99 -50.52 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -141.12 158.49 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.28 142.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.05 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.406 ' CD1' ' HB3' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -126.5 121.56 32.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -100.58 101.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' A' ' 106' ' ' ILE . 0.6 OUTLIER -101.07 142.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -137.16 122.59 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.512 HG11 ' CG ' ' A' ' 38' ' ' TRP . 51.9 t -93.73 132.09 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' CE ' ' OG ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -130.53 150.64 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -106.26 129.48 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 32.4 p -94.18 152.33 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' GLY . 16.1 p -137.37 -173.48 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.11 -18.52 61.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.21 -31.61 7.92 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 93' ' ' THR . . . 153.04 -150.22 21.94 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.92 174.79 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.78 -121.7 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -111.9 148.63 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.446 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.1 m -96.27 133.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.476 ' CB ' HG23 ' A' ' 25' ' ' VAL . 96.2 p -69.96 -166.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 126.96 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' HG3' ' A' ' 88' ' ' GLU . 31.1 mt-30 -53.51 137.62 35.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.686 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -92.71 154.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.35 107.9 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.572 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 33.3 mt -121.09 98.01 47.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.82 34.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.9 35.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 140.64 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 34.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -113.74 110.24 49.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.61 42.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 129.51 12.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.89 -172.67 36.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 t30 51.26 26.27 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 44.7 t -66.48 91.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.4 m -107.08 169.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 58.6 p-90 -147.8 178.27 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -170.75 164.42 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.67 103.97 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.467 ' CG2' HD21 ' A' ' 35' ' ' LEU . 2.1 t -152.5 163.82 38.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.1 m-20 56.32 22.67 6.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.521 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER 66.82 37.09 4.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -151.9 173.45 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 51.7 t -115.01 116.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.71 111.56 23.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 87' ' ' ILE . 45.5 mt -97.29 145.0 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.02 130.19 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 89' ' ' VAL . 48.4 p90 -146.98 154.1 40.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -175.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.92 112.73 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.13 112.45 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 123.45 36.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 2.8 pt-20 -54.52 163.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 53' ' ' TYR . 53.7 t -89.49 116.88 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -97.05 -12.9 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.69 -171.29 37.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CE1' HG13 ' A' ' 50' ' ' VAL . 80.3 m-85 -147.04 168.16 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 36.9 mttt -126.97 117.02 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.549 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 35.1 t -92.34 99.95 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' GLU . 45.9 m-85 -89.58 100.76 13.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 20.3 p90 -109.97 135.57 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.1 ptm180 -155.62 152.95 29.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 83' ' ' GLU . 86.4 m -65.75 169.12 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.1 mt-30 -99.88 168.11 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 56' ' ' PHE . 40.6 t -125.85 146.83 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.93 122.39 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.59 130.3 37.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -145.99 130.31 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -98.26 3.89 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.51 165.52 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -81.91 6.96 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -175.34 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.76 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 17.6 mt-10 -142.05 118.36 10.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 mt -116.48 -178.03 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.3 m -88.57 -175.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.47 148.39 34.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.22 -53.26 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 156.55 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 59' ' ' THR . 4.1 mt-10 62.8 138.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 m-20 -51.78 172.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 122.14 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.54 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.1 mp -101.85 104.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 106' ' ' ILE . 1.1 mt -101.36 146.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -138.43 122.72 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.528 HG13 ' CG ' ' A' ' 38' ' ' TRP . 98.9 t -93.83 127.93 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 3.1 mttm -124.82 154.08 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -108.7 135.2 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 24.1 p -105.91 148.51 27.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.0 p -138.3 -169.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.41 61.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.78 -37.33 10.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.52 -128.37 1.99 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -179.5 5.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -130.88 -132.85 3.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.6 m -100.26 155.04 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.427 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 21.8 p -107.35 117.08 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.7 p -52.75 -177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.7 125.34 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' CG ' HG23 ' A' ' 86' ' ' ILE . 19.2 mt-30 -47.27 137.23 8.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -92.41 161.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.41 112.71 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.536 HG12 ' CE3' ' A' ' 27' ' ' TRP . 8.7 mt -123.47 93.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.34 40.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 154.03 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.6 31.77 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.9 m -89.7 29.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -110.79 109.06 57.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.41 41.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 120.79 6.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.72 -171.78 36.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t30 54.56 22.56 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 24.1 t -65.82 90.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.2 m -106.36 156.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.6 p-90 -127.26 178.19 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -167.14 162.34 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.71 122.75 19.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.32 144.35 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' A' ' 32' ' ' THR . 47.8 m-20 51.98 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' THR . 31.9 p -154.75 45.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.02 177.98 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.0 103.64 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 41.9 mt -82.65 112.19 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 87' ' ' ILE . 32.7 mt -97.51 157.62 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -162.61 123.36 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CD1' HG11 ' A' ' 89' ' ' VAL . 48.8 p90 -139.77 153.6 47.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 178.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -96.77 177.88 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.429 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.7 t -143.24 113.4 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -108.21 123.74 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -75.81 137.27 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.066 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -64.23 162.54 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.518 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 53.1 t -86.37 127.9 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -100.46 -18.98 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -173.74 -156.2 13.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 91' ' ' ALA . 70.1 m-85 -156.95 149.82 23.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -111.89 118.86 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 40.9 t -91.0 104.54 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 21.7 m-85 -89.04 100.68 13.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 23.1 p90 -109.58 135.79 50.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.0 ptm180 -160.82 138.49 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.6 171.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.4 mt-30 -108.09 162.55 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.68 138.38 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.98 130.19 53.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.87 122.38 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.87 22.07 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -173.14 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.49 7.94 44.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -127.52 -173.32 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -171.61 172.72 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.3 mt-10 -144.87 116.37 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -109.22 -178.24 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 m -92.26 162.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.8 134.95 81.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.85 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.39 -59.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 61.45 143.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -59.3 162.7 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.75 121.24 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -99.0 113.94 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -111.75 134.6 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 38' ' ' TRP . 78.4 t -102.66 149.53 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -161.89 130.17 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.59 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -68.32 154.86 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -126.5 146.04 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.7 p -133.31 175.56 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -10.89 58.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.41 -37.99 6.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.78 -149.52 16.37 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.38 175.74 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -137.92 5.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.7 m -99.39 154.05 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 9.5 p -100.59 110.39 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.1 p -57.65 170.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.5 122.1 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.92 139.83 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.3 mt -87.48 161.29 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -133.89 97.25 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.532 HG12 ' CD2' ' A' ' 27' ' ' TRP . 5.7 mt -109.65 100.47 42.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.67 30.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.428 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 18.4 Cg_endo -74.91 141.41 26.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 37.86 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.465 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 6.6 mt-30 -106.89 107.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 151.07 38.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.98 128.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.6 -169.97 34.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 47.98 28.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 22.8 t -69.17 89.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.3 m -106.34 163.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.3 p-90 -134.79 177.3 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -169.85 168.02 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.18 116.13 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -151.84 150.67 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' THR . 1.6 m-20 39.47 63.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER 36.04 53.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 176.85 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -132.88 101.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 58.3 mt -82.01 111.65 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 87' ' ' ILE . 34.8 mt -97.29 156.45 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -160.16 131.02 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.599 ' CD1' HG13 ' A' ' 89' ' ' VAL . 46.4 p90 -149.61 148.11 28.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 174.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -92.33 163.82 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 20' ' ' GLN . 2.2 t -120.23 113.31 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.49 112.39 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -85.46 123.13 30.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.54 162.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.3 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 53' ' ' TYR . 54.8 t -86.74 120.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -99.61 -14.1 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.24 -163.68 24.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE1' HG11 ' A' ' 50' ' ' VAL . 73.0 m-85 -154.87 160.01 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 19.7 mttm -118.37 117.39 28.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 42.0 t -91.84 99.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 47.5 m-85 -89.91 100.44 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 21.2 p90 -109.68 136.41 49.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -156.08 145.06 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -63.51 170.35 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG21 ' C ' ' A' ' 57' ' ' TYR . 9.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 mt-30 -107.59 157.41 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 HG23 ' CE2' ' A' ' 56' ' ' PHE . 30.4 t -113.09 149.32 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.75 129.29 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.47 120.56 26.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.43 ' CG2' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -134.41 119.1 18.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.5 41.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 -172.08 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -103.4 10.2 37.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.0 p -130.97 -178.59 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -167.66 170.66 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 19.8 mt-10 -142.78 115.56 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -110.37 -177.64 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.18 155.64 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -62.98 144.6 97.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 127.83 11.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.802 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -81.02 -55.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 155.37 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.14 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -48.52 170.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.73 121.5 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -99.7 111.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.59 142.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -135.58 122.04 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 38' ' ' TRP . 61.3 t -93.07 130.15 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.2 mtmt -126.87 153.47 45.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.77 130.66 55.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 4.8 p -105.12 150.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 p -138.76 -168.62 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -13.07 61.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.18 -34.81 5.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.58 -142.48 9.5 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -73.47 -170.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.7 -123.94 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.6 m -104.83 153.09 21.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -104.74 125.57 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.9 p -60.76 -175.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 124.63 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 12.0 mt-30 -49.96 133.2 22.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.668 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.1 mt -87.27 160.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -132.03 101.4 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 27' ' ' TRP . 11.3 mt -114.13 97.5 45.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.2 Cg_endo -75.02 163.79 34.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.8 mpp_? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' OG ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -75.03 166.96 28.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.04 -18.06 18.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 11.75 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.31 112.63 60.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.43 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.0 125.19 9.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.81 -170.29 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 48.62 25.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 61.7 t -64.87 92.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 m -106.72 158.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.0 p-90 -133.95 177.33 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -167.83 164.46 14.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.12 116.96 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -141.42 156.89 45.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' O ' ' CG2' ' A' ' 32' ' ' THR . 8.2 m-20 49.08 -92.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 36.2 p -156.09 43.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.434 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.2 172.18 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -117.32 108.1 23.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 17.5 mt -82.44 108.21 15.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -97.3 146.87 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.79 128.14 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.582 ' CD1' HG12 ' A' ' 89' ' ' VAL . 47.9 p90 -141.31 164.09 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -172.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -110.68 159.31 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.2 t -125.23 118.49 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -111.83 120.34 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 17' ' ' PRO . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.512 ' OG ' ' CG2' ' A' ' 93' ' ' THR . 60.5 p -83.66 122.97 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.03 158.66 34.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.575 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.7 t -82.71 112.96 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.5 p -99.88 -10.62 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.76 -170.41 40.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 50' ' ' VAL . 61.9 m-85 -147.07 158.16 43.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 87.3 mttt -121.03 117.47 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.553 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 34.9 t -87.9 110.57 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 67' ' ' VAL . 64.6 m-85 -98.25 100.92 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.7 p90 -110.28 136.43 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -156.74 138.68 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.21 168.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' ' 57' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.0 mt-30 -100.85 176.86 5.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 56' ' ' PHE . 47.8 t -135.17 146.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.553 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.87 128.75 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -76.72 135.61 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.43 116.58 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.21 24.62 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.9 174.31 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.08 10.87 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.5 -173.88 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.71 171.6 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.9 mt-10 -145.28 116.01 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mt -114.66 -178.24 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.58 -173.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -102.92 137.69 19.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.28 11.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.09 -49.61 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -144.95 165.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.28 138.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 m-20 -54.43 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 123.59 35.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -101.9 102.15 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 106' ' ' ILE . 0.9 OUTLIER -100.45 142.49 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -137.57 125.71 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 38' ' ' TRP . 48.2 t -95.51 132.56 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.7 mtmt -133.39 146.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.531 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -96.87 145.62 25.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 61.8 p -109.47 150.0 28.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.512 ' CG2' ' OG ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -138.58 -179.98 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -14.77 61.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.2 -34.61 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.06 -144.31 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 174.5 8.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.12 -131.04 4.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -107.03 151.88 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' SER . 0.7 OUTLIER -95.9 128.05 42.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.445 ' CB ' HG23 ' A' ' 25' ' ' VAL . 32.9 p -59.91 -150.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.2 121.85 36.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.48 ' CG ' HG21 ' A' ' 86' ' ' ILE . 29.3 mt-30 -46.24 134.51 8.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.699 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -92.09 153.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -123.26 105.59 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.562 HG12 ' CE3' ' A' ' 27' ' ' TRP . 6.2 mt -118.48 96.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.1 Cg_endo -75.0 162.47 37.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 8.0 mtp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.63 38.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.806 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 139.4 24.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 36.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -116.42 109.14 44.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.74 42.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.5 Cg_endo -74.99 125.05 9.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 -176.09 35.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t30 56.03 23.27 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 23.7 t -65.17 90.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 22.0 m -107.04 157.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 57.1 p-90 -132.03 178.34 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -168.98 163.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.7 120.39 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.94 146.45 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' CG2' ' A' ' 32' ' ' THR . 18.6 m-20 51.09 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 48.3 p -153.97 43.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -148.67 163.0 38.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 43.2 t -118.45 102.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 30.3 mt -82.62 113.22 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 87' ' ' ILE . 42.6 mt -96.88 159.83 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -164.21 127.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -145.85 150.91 37.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -177.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -104.17 158.5 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 t -116.55 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.94 115.87 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -104.81 126.59 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.56 165.72 7.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 53' ' ' TYR . 71.7 t -94.38 127.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 p -109.11 -10.04 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.99 -168.12 32.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 50' ' ' VAL . 68.6 m-85 -155.22 161.35 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 73.9 mttt -120.35 119.09 32.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.523 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 40.5 t -91.44 100.75 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 51.6 m-85 -86.8 101.6 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 26.1 p90 -110.34 136.21 49.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.7 ptm180 -156.32 144.69 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -66.6 177.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.3 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 32.7 mt-30 -96.74 178.18 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.541 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.5 t -137.11 135.92 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.523 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.2 128.16 53.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -79.88 123.77 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.66 125.93 21.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -97.84 37.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -172.99 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.11 4.8 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 p -125.81 -175.7 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -170.57 173.98 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 51.5 mt-10 -147.6 118.77 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -109.27 -177.98 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -97.65 153.22 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.35 137.73 88.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.47 -63.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -141.29 162.73 34.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.02 143.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' N ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.43 167.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.4 t80 -123.4 121.4 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mm -100.87 112.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.474 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 140.82 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -135.47 121.84 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.9 t -90.88 136.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 1.5 mttm -133.92 146.72 50.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -102.69 135.31 44.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.472 HG21 ' CA ' ' A' ' 53' ' ' TYR . 29.4 p -104.26 146.83 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.8 p -138.24 -173.64 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -14.3 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.89 -34.98 5.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.11 -144.42 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 173.56 10.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.24 -128.59 3.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -97.96 151.37 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.367 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -102.07 112.87 25.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.6 p -49.52 177.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.84 122.84 17.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -48.6 136.53 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.69 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -89.34 159.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -130.97 97.4 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.569 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 7.7 mt -111.48 99.24 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.28 27.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.54 21.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 99' ' ' THR . 4.6 m 54.58 18.96 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.16 113.11 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.03 18.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.76 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.38 -172.52 30.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 45.58 32.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 104' ' ' ILE . 61.7 t -68.28 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 27.6 m -106.62 175.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 69.4 p-90 -153.33 178.66 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -162.73 158.24 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.39 122.13 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.52 ' CG2' HD21 ' A' ' 35' ' ' LEU . 1.5 t -150.88 160.65 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' CG2' ' A' ' 32' ' ' THR . 32.5 m-20 44.63 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' THR . 41.1 p -155.81 44.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.49 161.37 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 31.6 t -117.24 107.99 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.52 HD21 ' CG2' ' A' ' 30' ' ' THR . 1.0 OUTLIER -87.25 116.97 25.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 87' ' ' ILE . 35.4 mt -99.61 157.46 16.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -163.53 123.37 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 73' ' ' THR . 47.6 p90 -139.52 169.33 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -166.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -111.68 171.77 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG11 ' CG2' ' A' ' 50' ' ' VAL . 2.3 t -133.35 113.98 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -102.72 111.24 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -88.45 117.64 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 2.6 pt-20 -59.28 160.34 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.2 t -82.51 121.6 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 p -101.0 -8.04 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -175.02 -159.29 20.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 47.8 m-85 -157.41 160.63 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.26 117.31 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.545 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 40.0 t -91.26 110.2 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CE ' ' A' ' 90' ' ' LYS . 26.6 m-85 -94.31 100.66 12.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 16.7 p90 -108.71 135.34 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.1 ptm180 -155.35 130.84 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.7 m -64.41 168.47 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 13.3 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 44.9 mt-30 -102.63 177.18 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.09 138.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.66 122.34 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.28 123.91 29.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 139.58 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.79 48.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.26 177.41 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -95.27 7.1 47.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.425 ' O ' ' CH2' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -126.98 -175.22 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.74 173.48 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 50.4 mt-10 -144.07 117.22 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD12 ' CD1' ' A' ' 57' ' ' TYR . 1.1 mm? -109.4 -177.95 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.75 153.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 150.06 3.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.04 5.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.89 89.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 62.23 -96.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -38.29 141.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 60' ' ' SER . 3.5 m-20 -51.76 -177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.6 t80 -137.01 121.76 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mm -100.54 107.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -103.52 141.72 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.3 mt-10 -137.65 123.54 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.2 t -102.4 140.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.602 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.64 126.53 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -73.11 144.56 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -119.97 154.77 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -136.69 -178.93 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -30.61 71.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.68 -40.79 45.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.11 -177.36 38.34 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.79 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.8 -142.17 5.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.5 m -95.5 156.26 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.467 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 12.3 p -101.54 125.7 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.5 p -67.79 -174.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 121.92 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -48.9 134.04 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.608 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -88.1 159.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -129.35 101.51 6.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 36.1 mt -115.79 101.93 54.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.29 33.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -74.98 152.11 40.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.34 36.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -91.16 28.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -103.6 109.79 62.65 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 152.41 40.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 123.93 8.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.778 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.56 -174.81 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.14 19.41 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.481 ' CG1' HD12 ' A' ' 104' ' ' ILE . 29.3 t -61.95 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.3 153.34 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.9 p-90 -128.86 178.48 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -172.79 166.91 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.93 116.92 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -151.67 152.95 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.6 43.27 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 ' CA ' HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER 52.86 40.1 30.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' THR . 14.9 ttmm -142.11 161.75 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 69.3 t -115.44 106.32 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 31.6 mt -89.22 111.83 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD1' HG22 ' A' ' 87' ' ' ILE . 65.4 mt -97.11 146.84 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -154.48 123.75 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.518 ' CD1' HG12 ' A' ' 89' ' ' VAL . 47.6 p90 -135.86 158.04 45.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -177.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -98.57 173.34 6.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.23 116.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -91.66 119.73 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.56 128.08 35.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 3.0 pt-20 -56.39 162.17 2.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 53' ' ' TYR . 69.6 t -82.25 112.25 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -92.89 -3.44 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.66 -175.34 45.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE2' HG13 ' A' ' 50' ' ' VAL . 51.8 m-85 -140.67 163.06 33.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -121.82 117.32 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 46.6 t -89.25 113.54 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 51.2 m-85 -104.94 101.23 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.409 ' C ' HG23 ' A' ' 65' ' ' VAL . 15.3 p90 -109.01 135.99 49.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -153.63 140.03 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -56.51 166.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 8.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -96.46 178.16 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.5 t -137.02 151.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -138.24 126.96 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.53 135.54 39.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.86 123.9 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -97.21 20.74 10.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 170.66 13.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.07 14.92 6.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.8 m -139.49 178.1 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.46 178.46 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.8 mt-10 -148.45 118.5 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 36' ' ' LEU . 12.4 mt -117.14 -177.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -99.44 153.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.401 HD23 ' CA ' ' A' ' 32' ' ' THR . 3.6 pp -62.16 143.28 95.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.52 17.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -79.98 -66.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.84 157.42 42.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.75 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -49.18 174.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 120.79 26.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -99.29 112.97 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -108.8 143.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -137.79 132.72 33.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 38' ' ' TRP . 57.7 t -118.02 132.23 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -140.8 138.84 34.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -80.65 129.38 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.09 141.4 48.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -121.42 -171.06 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -12.04 61.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.32 -35.13 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.71 -151.25 21.69 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -87.31 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 -131.24 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -105.18 143.13 33.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.759 . . . . 0.0 110.364 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.464 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 3.6 m -92.63 132.19 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 p -67.86 177.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 122.89 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 36.8 mt-30 -48.28 136.09 12.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.616 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.3 mt -86.68 161.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.41 98.96 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.0 mt -112.55 98.33 43.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.92 39.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.98 42.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.0 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m 59.32 17.25 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 13.0 mt-30 -88.16 113.77 56.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.46 33.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.01 131.07 13.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.48 -174.55 35.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 t30 48.24 29.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 58.8 t -66.53 93.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 23.3 m -107.58 172.27 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.1 p-90 -147.07 178.34 8.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -167.14 162.53 15.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.86 119.04 14.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.66 145.35 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 49.68 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' THR . 26.7 p -151.23 45.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -144.41 -179.36 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.2 t -139.42 103.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.0 mt -82.76 109.38 16.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -97.02 145.76 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -148.08 142.85 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.503 ' CE3' HG21 ' A' ' 89' ' ' VAL . 48.2 p90 -159.11 147.4 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 176.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -100.75 157.46 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.466 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t -114.76 114.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -98.6 114.54 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 121.62 26.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 3.1 pt-20 -63.02 164.74 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.519 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 97.6 t -93.13 119.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -101.42 -2.04 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . 179.02 -161.96 28.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.6 m-85 -156.9 160.56 39.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -116.49 116.53 27.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.496 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 43.1 t -89.42 111.03 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 49.1 m-85 -99.9 100.31 11.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD1' HD23 ' A' ' 77' ' ' LEU . 31.4 p90 -108.81 137.03 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.7 ptm180 -153.08 144.85 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -67.59 165.9 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 mm-40 -95.79 177.0 5.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 4.6 t -134.57 124.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -107.6 137.86 44.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' N ' HD13 ' A' ' 68' ' ' LEU . 20.1 m120 -90.04 137.96 31.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.21 116.54 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -90.53 38.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.96 -175.52 5.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.31 11.21 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 -171.98 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.3 171.91 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 12.0 mt-10 -142.25 120.04 11.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 57' ' ' TYR . 18.6 mt -118.68 178.92 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -93.66 154.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.485 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -60.65 139.62 92.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.37 83.81 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 79.27 155.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.77 137.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.23 176.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 121.54 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 0.9 OUTLIER -98.3 99.82 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -99.61 138.3 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -133.8 122.68 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.503 HG21 ' CE3' ' A' ' 38' ' ' TRP . 97.0 t -95.71 123.93 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -118.65 141.27 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -98.96 112.79 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -99.15 157.4 16.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.4 p -138.6 -172.11 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -22.99 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -36.62 13.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.09 -160.16 29.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -173.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.62 -127.02 1.87 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 m -106.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' OE1' ' A' ' 88' ' ' GLU . 4.3 p -103.33 141.12 36.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.2 p -79.76 177.03 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 8.7 pt-20 -59.8 119.1 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -45.75 136.89 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.667 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -89.62 149.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -118.79 101.61 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG12 ' CE3' ' A' ' 27' ' ' TRP . 75.1 mt -110.05 101.64 48.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.0 151.31 39.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.22 33.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -91.2 31.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -105.06 108.38 61.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.71 39.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 121.8 6.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.08 -172.18 35.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.74 26.12 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.724 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 43.2 t -66.8 91.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.1 m -106.33 158.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 47.7 p-90 -132.69 178.56 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -167.61 161.12 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.88 119.04 14.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -140.08 146.79 39.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' O ' ' CG2' ' A' ' 32' ' ' THR . 70.0 m-20 52.64 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 35.7 p -156.29 45.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 15.5 ttmm -150.92 163.56 38.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 51.1 t -118.81 104.44 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 28.0 mt -85.85 115.22 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 87' ' ' ILE . 43.6 mt -96.98 156.67 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.34 123.92 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.591 ' CH2' ' C ' ' A' ' 74' ' ' SER . 43.4 p90 -137.58 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -168.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.52 162.63 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.48 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t -124.23 114.05 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -98.02 112.01 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.85 132.29 46.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.41 162.11 13.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 53' ' ' TYR . 62.2 t -82.33 107.89 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 p -86.57 -5.77 59.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.12 -171.08 43.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 31.7 m-85 -144.17 157.14 44.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -119.4 118.6 31.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.546 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 37.8 t -91.63 120.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 23.8 m-85 -107.34 100.86 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' HD11 ' A' ' 77' ' ' LEU . 23.0 p90 -108.92 136.14 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -155.52 138.23 15.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.432 HG23 ' CB ' ' A' ' 83' ' ' GLU . 13.4 m -56.6 169.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 66' ' ' GLN . 9.6 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.409 ' N ' HG21 ' A' ' 65' ' ' VAL . 6.7 mm100 -103.14 167.86 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 9.7 t -127.08 137.77 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.546 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -116.48 133.95 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.29 132.27 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -155.75 128.57 7.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -94.94 49.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.92 179.74 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -97.56 11.54 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.591 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 27.4 m -135.01 179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.78 -179.89 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.2 mt-10 -148.91 116.24 6.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 57' ' ' TYR . 1.4 mm? -108.55 -178.42 3.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.57 154.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.86 146.3 76.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.4 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -76.86 -56.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -151.14 -81.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' CB ' HG23 ' A' ' 59' ' ' THR . 3.7 mt-10 -41.68 142.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . 32.3 m-20 -48.34 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.8 t80 -133.26 121.3 22.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -100.58 118.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.476 HG22 ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -113.22 137.01 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.4 mt-10 -132.55 125.1 29.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.12 136.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -151.14 127.93 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.587 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -69.33 157.01 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.62 148.46 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.1 p -130.21 -174.52 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -21.67 66.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.47 -40.22 13.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.99 -145.35 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 1.1 p-10 -91.17 -177.44 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.35 -138.84 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -97.39 151.91 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 7.9 m -101.0 128.52 47.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -72.14 163.26 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 6.2 pt-20 -47.31 119.75 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.12 138.91 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.626 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -86.96 161.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -131.38 99.44 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.2 mt -112.08 97.13 37.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.98 7.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.4 Cg_endo -74.99 150.99 39.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.72 24.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 p -88.44 37.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -113.87 109.45 50.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.99 42.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.56 -175.86 40.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.99 30.12 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 66.9 t -69.01 91.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 16.1 m -109.12 170.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 63.9 p-90 -147.81 178.3 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -163.53 160.43 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.1 122.42 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.499 ' CG2' HD21 ' A' ' 35' ' ' LEU . 5.6 t -150.88 163.75 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 32' ' ' THR . 25.0 m-20 45.72 -93.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' THR . 37.2 p -156.59 43.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.31 167.86 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.39 112.19 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 HD21 ' CG2' ' A' ' 30' ' ' THR . 0.4 OUTLIER -89.18 127.18 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 87' ' ' ILE . 37.4 mt -108.03 151.33 25.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -155.44 125.89 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 89' ' ' VAL . 48.5 p90 -145.42 152.65 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 178.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -97.65 164.48 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.468 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 4.3 t -123.33 118.04 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -112.92 115.27 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 17' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -96.33 122.86 39.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.46 163.31 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.578 HG11 ' CE2' ' A' ' 53' ' ' TYR . 73.7 t -89.12 130.66 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.7 p -113.48 -7.72 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.53 -165.92 31.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' HG11 ' A' ' 50' ' ' VAL . 65.2 m-85 -154.3 165.08 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 69.9 mttt -127.76 120.77 28.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.555 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 38.1 t -92.98 101.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 67' ' ' VAL . 55.0 m-85 -89.14 100.42 13.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 19.8 p90 -109.11 136.12 49.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -158.23 132.46 8.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.2 m -59.88 167.09 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' ASP . 2.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.7 mp0 -95.81 177.24 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 56' ' ' PHE . 54.2 t -141.47 145.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.31 120.47 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.82 124.67 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -142.33 131.69 23.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.5 -7.43 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 173.19 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -89.36 13.52 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -133.27 -176.62 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.71 167.66 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -140.13 116.84 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.6 mm? -108.95 -178.27 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.36 154.22 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' A' ' 81' ' ' ILE . 3.0 pp -47.28 144.76 4.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.91 22.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.435 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 14.3 mm -109.66 86.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 64.89 156.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mt-10 60.91 140.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 m-20 -59.46 167.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 121.44 40.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -98.73 101.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -100.34 145.65 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -140.06 122.69 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 38' ' ' TRP . 46.6 t -93.49 134.28 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.4 mtmt -136.76 147.24 46.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.57 ' HB1' ' CE1' ' A' ' 53' ' ' TYR . . . -103.58 131.44 50.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' CA ' ' A' ' 53' ' ' TYR . 2.6 p -97.98 148.16 23.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.6 p -138.21 -173.1 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -16.08 62.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.44 -34.81 6.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.3 -129.06 2.27 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 178.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.22 -128.75 3.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -99.72 146.81 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.382 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.402 ' OG ' ' CE ' ' A' ' 90' ' ' LYS . 1.2 m -98.37 114.23 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.7 p -52.03 171.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 125.1 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.452 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 30.2 mt-30 -47.88 134.07 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.638 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -91.63 135.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -107.32 100.02 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 27' ' ' TRP . 20.6 mt -113.92 103.92 55.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.18 37.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.15 40.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG3' ' CB ' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.99 140.81 25.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -89.03 34.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.36 110.01 41.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.41 41.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.99 127.06 10.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.66 -172.74 36.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 t30 51.1 25.7 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 46.2 t -65.87 92.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' ASN . 21.4 m -108.91 154.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.602 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.8 p-90 -127.79 178.37 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -171.75 164.5 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.91 119.24 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -142.64 157.63 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' O ' ' CG2' ' A' ' 32' ' ' THR . 17.3 m-20 49.72 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 35.9 p -156.63 43.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -152.03 178.35 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG13 ' CD2' ' A' ' 36' ' ' LEU . 40.3 t -122.33 108.3 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 34.1 mt -82.17 107.49 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' HD11 ' A' ' 77' ' ' LEU . 75.7 mt -97.1 149.52 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -152.88 143.6 22.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CD1' HG11 ' A' ' 89' ' ' VAL . 48.3 p90 -160.31 151.36 19.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.035 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -176.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.62 161.46 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -123.84 117.46 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -108.32 129.83 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.72 133.61 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -63.33 162.7 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.513 HG12 ' CZ ' ' A' ' 53' ' ' TYR . 72.2 t -89.07 120.02 37.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 p -103.4 -6.22 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.32 -169.3 38.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 91' ' ' ALA . 78.8 m-85 -149.15 164.24 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.977 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 27.4 mttt -122.2 117.16 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 35.5 t -90.23 109.52 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 44.1 m-85 -99.58 100.03 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 17.0 p90 -109.48 136.21 49.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -156.7 141.52 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 83' ' ' GLU . 25.6 m -56.36 173.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.413 ' CB ' ' HB3' ' A' ' 83' ' ' GLU . 59.3 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.428 HG22 ' C ' ' A' ' 57' ' ' TYR . 9.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt-30 -106.03 155.69 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 32.1 t -113.98 144.38 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.531 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -128.57 132.65 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.77 126.86 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.438 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -142.01 114.6 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.46 46.43 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -178.63 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.2 p -95.41 6.3 49.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 p -128.22 177.7 6.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.55 168.93 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.4 mt-10 -144.64 121.54 11.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 36' ' ' LEU . 5.6 mt -118.69 -178.22 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.76 154.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.08 148.38 92.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 155.15 43.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.63 -66.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' GLU . 10.7 mttt -141.07 -85.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -37.84 140.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -48.06 174.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.96 121.3 29.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -99.36 101.46 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 106' ' ' ILE . 1.1 mt -100.66 143.73 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -138.41 122.23 17.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.4 t -93.19 134.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 2.7 mttm -131.79 152.53 50.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -109.33 130.31 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.494 HG21 ' CA ' ' A' ' 53' ' ' TYR . 5.1 p -100.57 151.18 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.1 p -138.52 -170.42 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -17.52 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.37 7.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.171 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.4 -126.93 1.66 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.47 179.41 5.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.91 -132.66 3.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -104.32 153.39 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.6 p -101.38 126.81 48.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.409 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 86.8 p -67.25 168.18 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.63 126.36 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 25.5 mt-30 -51.27 140.16 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -93.11 160.73 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -132.23 103.58 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.497 HG12 ' CD2' ' A' ' 27' ' ' TRP . 13.1 mt -113.15 96.23 38.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.09 9.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.31 39.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.47 24.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m -89.15 34.45 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -117.67 109.37 41.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.79 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 124.98 9.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.12 -172.7 37.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t30 51.64 27.1 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 38.6 t -67.19 92.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 17.1 m -108.26 164.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 54.9 p-90 -140.87 178.28 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -168.99 162.35 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.59 119.91 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.72 145.83 38.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.47 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' CG2' ' A' ' 32' ' ' THR . 35.5 m-20 52.74 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 35.5 p -155.48 44.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 177.21 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 49.0 t -131.91 103.55 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 46.8 mt -82.51 112.45 19.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 87' ' ' ILE . 25.7 mt -97.13 155.69 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -161.51 123.29 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CD1' HG12 ' A' ' 89' ' ' VAL . 46.8 p90 -142.98 149.04 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -107.28 161.74 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.82 121.13 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -113.02 114.69 27.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -105.51 127.09 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.85 166.03 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 53' ' ' TYR . 49.8 t -94.24 120.16 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -96.26 -16.82 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -171.46 -160.1 19.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 91' ' ' ALA . 70.4 m-85 -157.16 161.94 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 70.1 mttt -122.01 116.97 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.513 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 32.3 t -89.29 103.0 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.7 m-85 -89.39 100.99 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 77' ' ' LEU . 24.9 p90 -110.45 136.74 49.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.7 ptm180 -152.73 154.02 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' ' CD ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -76.59 165.8 24.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 3.9 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' N ' HG21 ' A' ' 65' ' ' VAL . 7.8 mt-30 -95.84 177.61 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 23.1 t -138.82 140.84 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.513 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.38 123.12 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.37 115.2 18.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.31 138.14 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -107.51 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -165.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.32 2.5 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 p -124.42 -172.64 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.39 173.23 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 20.9 mt-10 -143.87 115.82 8.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 57' ' ' TYR . 1.1 mm? -110.0 -177.99 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.04 175.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.68 151.64 80.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.87 93.81 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 57.92 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CD ' ' CG2' ' A' ' 59' ' ' THR . 2.3 pt-20 -38.74 141.75 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.25 171.22 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.1 t80 -129.41 121.83 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -100.11 103.77 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.7 OUTLIER -100.04 141.71 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -137.49 122.15 18.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' CD1' ' A' ' 38' ' ' TRP . 57.8 t -92.14 136.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 1.6 mtmt -136.85 144.69 43.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.576 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -97.97 140.22 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 HG21 ' CA ' ' A' ' 53' ' ' TYR . 52.4 p -107.18 144.16 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.1 p -138.5 -172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -20.01 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.18 -36.26 7.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -141.46 8.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.24 167.17 21.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.74 -126.27 3.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -99.75 147.73 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -98.62 115.93 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.6 p -55.55 162.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 4.7 pt-20 -50.98 121.83 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -47.98 135.75 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.646 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -88.12 156.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -127.53 102.2 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.3 mt -114.04 94.27 33.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.13 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.58 35.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.786 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.85 18.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m 59.12 15.68 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -102.26 112.07 65.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.68 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.12 22.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.3 -171.87 25.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t30 48.39 24.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 104' ' ' ILE . 37.0 t -64.37 93.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 26.2 m -106.1 166.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.672 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -143.9 178.33 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 8.3 m120 -167.83 162.94 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.13 110.3 7.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.496 ' CG2' HD21 ' A' ' 35' ' ' LEU . 2.8 t -152.6 163.39 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' C ' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER 46.91 26.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 65.88 37.08 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.5 ttmm -143.24 159.93 41.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 53.4 t -112.57 113.6 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 HD21 ' CG2' ' A' ' 30' ' ' THR . 0.4 OUTLIER -97.34 112.86 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 77' ' ' LEU . 51.6 mt -97.22 146.32 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 10.9 m-80 -153.66 131.56 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -145.93 154.58 42.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -175.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.3 164.71 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.61 114.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -110.12 118.63 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -91.42 126.89 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.84 165.18 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.53 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 77.3 t -85.28 123.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -94.58 -14.35 25.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.9 -154.08 11.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 91' ' ' ALA . 78.5 m-85 -156.79 167.03 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CD ' HG21 ' A' ' 92' ' ' THR . 43.4 mttt -135.85 117.87 15.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.501 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 39.3 t -90.26 113.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 36.5 m-85 -99.84 100.22 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.402 ' O ' HG21 ' A' ' 65' ' ' VAL . 21.2 p90 -109.61 135.91 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' NH2' HG13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -156.92 139.83 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.45 HG21 ' CB ' ' A' ' 83' ' ' GLU . 1.7 m -62.14 168.38 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 57' ' ' TYR . 5.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.1 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 7.6 t -121.26 150.78 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.501 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.13 131.85 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.06 110.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -88.5 48.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.25 -179.63 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.97 7.49 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -131.07 176.5 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.41 178.01 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 52.8 mt-10 -150.02 122.66 8.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 36' ' ' LEU . 19.6 mt -118.65 -178.26 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -103.18 153.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.455 HD22 ' CA ' ' A' ' 32' ' ' THR . 4.2 pp -61.47 142.1 94.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.93 30.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.87 -64.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 159.88 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' CB ' HG21 ' A' ' 59' ' ' THR . 3.9 mt-10 61.72 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -53.2 169.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.56 122.01 38.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 103' ' ' GLN . 1.9 mm -100.27 112.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.83 137.73 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -132.85 127.52 34.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -107.25 141.58 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.647 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -154.14 127.94 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -68.03 153.63 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.456 HG21 ' CD ' ' A' ' 54' ' ' LYS . 82.8 p -112.07 140.28 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 96' ' ' GLY . 3.1 p -131.64 169.3 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.45 -16.83 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.99 -38.3 8.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 93' ' ' THR . . . 152.84 170.88 19.68 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -41.49 151.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.13 -132.19 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 6.4 m -101.69 154.42 18.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 6.6 p -100.81 110.09 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 9.2 p -52.98 178.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.95 121.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 86' ' ' ILE . 5.1 pt20 -48.53 137.02 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.672 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.1 mt -88.12 160.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -128.04 102.36 6.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.572 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.7 mt -119.22 97.92 50.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.408 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.2 Cg_endo -75.02 151.05 38.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HA ' ' CD ' ' A' ' 47' ' ' GLU . 18.5 Cg_endo -74.97 141.77 27.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.56 34.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -115.31 109.34 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.5 42.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.98 128.22 11.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.16 -179.77 34.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.63 24.44 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 21.4 t -66.23 92.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.2 m -110.21 154.72 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 65.0 p-90 -125.65 178.81 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.04 168.2 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.33 117.01 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.7 t -130.06 164.01 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.5 m-20 41.69 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' THR . 11.2 p -151.99 43.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.95 -178.3 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 24.1 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 HD23 ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.89 133.16 53.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 87' ' ' ILE . 25.5 mt -117.2 149.61 40.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.34 122.52 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CD1' HG11 ' A' ' 89' ' ' VAL . 48.9 p90 -139.9 153.77 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.82 146.96 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 t -103.16 113.46 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -108.39 113.19 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 17' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 m -103.92 132.06 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -68.01 161.41 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.574 HG11 ' CE1' ' A' ' 53' ' ' TYR . 77.9 t -90.59 126.83 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -108.9 -9.36 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -168.69 -166.77 28.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 50' ' ' VAL . 75.5 m-85 -157.63 164.88 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -124.49 117.5 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.517 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 26.5 t -90.54 99.56 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 22.1 m-85 -86.89 100.89 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 27.9 p90 -109.82 135.69 50.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.4 ptm180 -157.01 133.34 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.449 HG21 ' CB ' ' A' ' 83' ' ' GLU . 2.7 m -58.54 165.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 40.0 mt-30 -100.48 169.91 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 t -126.62 137.49 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.517 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -122.16 127.64 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.69 129.51 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.402 ' CG2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -146.95 114.45 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -89.95 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -150.68 -175.87 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -100.33 6.6 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.56 -179.0 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.25 172.02 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 67.6 mt-10 -148.85 120.04 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -109.42 -178.13 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.94 -168.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 32' ' ' THR . 31.2 mt -96.22 142.87 25.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.38 14.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.87 -69.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.7 mttt -132.12 -91.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' CB ' HG21 ' A' ' 59' ' ' THR . 0.7 OUTLIER -37.16 141.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.3 t80 -130.67 121.44 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -100.1 109.72 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -106.42 145.25 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.6 mt-10 -139.01 122.19 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -91.96 127.96 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 7.3 mttm -126.12 152.06 46.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -106.45 147.62 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.443 HG21 ' CA ' ' A' ' 53' ' ' TYR . 14.1 p -122.03 143.85 49.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.0 p -138.05 -168.83 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -13.1 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.67 -22.93 22.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.46 -139.58 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.43 -176.85 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -137.12 -137.35 3.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.8 m -96.39 155.57 16.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -104.08 131.48 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 178.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.168 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 125.57 24.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 11.3 mt-30 -51.41 132.67 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -87.46 160.27 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -132.94 104.1 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CE3' ' A' ' 27' ' ' TRP . 5.8 mt -115.53 105.32 52.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.42 42.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.84 28.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -89.43 27.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -117.62 110.42 40.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 162.02 37.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -74.98 124.27 8.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.32 -173.31 41.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.13 30.38 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 88.0 t -68.24 91.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 19.6 m -106.36 -176.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 51.9 p-90 -158.59 178.39 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.06 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -163.32 160.07 23.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.45 120.89 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.4 t -145.48 162.71 36.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' THR . 4.7 m-20 39.11 -93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.1 p -153.27 49.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 176.91 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 38.3 t -133.61 104.68 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -82.32 119.44 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 87' ' ' ILE . 35.6 mt -104.03 149.83 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 3.4 m-80 -154.67 128.69 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CD1' HG13 ' A' ' 89' ' ' VAL . 47.8 p90 -147.11 150.73 35.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -177.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -104.93 163.33 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -120.81 123.35 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -113.4 117.43 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -84.16 140.33 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.59 161.69 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.54 HG11 ' CE1' ' A' ' 53' ' ' TYR . 63.2 t -91.62 124.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.0 p -107.24 -9.99 15.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.38 -177.03 43.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 91' ' ' ALA . 69.1 m-85 -146.49 159.01 43.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -117.55 121.91 42.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.53 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 39.9 t -93.44 100.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 67' ' ' VAL . 66.1 m-85 -88.65 101.17 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 26.4 p90 -111.39 136.05 51.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -156.81 141.59 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -59.4 172.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.8 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 15.2 mt-30 -99.2 178.15 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.587 HG23 ' CE1' ' A' ' 56' ' ' PHE . 49.0 t -136.03 147.1 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.53 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.3 123.52 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 123.26 26.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 122.39 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -92.96 25.15 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -134.44 -175.37 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.03 7.44 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.2 p -129.56 -174.68 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.19 174.99 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 38.6 mt-10 -144.97 115.86 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 57' ' ' TYR . 1.6 mm? -108.71 -178.45 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.18 157.71 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -66.2 142.13 97.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.19 12.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.768 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.89 -61.53 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.5 150.23 51.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.47 142.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -53.86 175.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.2 t80 -129.02 121.52 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.578 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -98.85 114.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.19 136.29 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -131.23 123.27 28.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.585 HG13 ' CD1' ' A' ' 38' ' ' TRP . 43.5 t -93.12 138.72 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -139.52 146.44 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.577 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -98.14 143.8 28.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.45 HG22 ' CA ' ' A' ' 53' ' ' TYR . 32.9 p -112.34 142.94 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.0 p -137.95 173.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -11.09 47.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.57 -36.37 5.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.14 -136.54 4.6 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.25 178.52 5.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.25 -141.02 5.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.7 m -98.66 148.41 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 p -95.71 123.54 39.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -69.01 162.14 27.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 4.8 pt-20 -47.93 120.03 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -49.34 137.67 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -86.89 150.78 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -119.71 102.51 8.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 27' ' ' TRP . 15.0 mt -112.92 98.9 46.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.02 157.24 42.82 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 7.0 mtp180 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.6 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.5 164.78 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.2 -177.18 23.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.03 145.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -149.06 -61.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.49 143.92 8.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 m -156.19 130.71 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -46.26 165.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.34 173.96 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.85 171.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -108.8 158.55 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -151.47 142.99 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.36 164.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -70.18 -176.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 p -133.43 153.26 80.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.5 20.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.98 -36.86 2.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.787 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 82.59 -5.67 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.42 118.25 70.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.97 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.93 126.36 9.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.0 -178.74 38.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 t30 54.54 26.65 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 94.6 t -64.3 92.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 37' ' ' ASN . 28.5 m -106.7 159.93 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.9 p-90 -136.32 178.52 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -167.24 162.68 15.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.97 119.28 14.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -143.42 159.37 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' O ' ' CG2' ' A' ' 32' ' ' THR . 47.4 m-20 46.38 -94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' THR . 50.2 p -153.7 42.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.25 174.0 12.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' CG1' HD21 ' A' ' 36' ' ' LEU . 24.8 t -123.87 106.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 36.7 mt -82.36 108.45 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD21 ' CG1' ' A' ' 34' ' ' VAL . 82.6 mt -96.84 149.16 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.87 139.62 18.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 48.9 p90 -155.93 152.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -179.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -104.0 160.68 14.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 18.8 t -122.44 122.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -115.0 120.13 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB3' ' CB ' ' A' ' 47' ' ' GLU . . . -76.67 147.53 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.416 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -73.61 -170.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 10.5 tt0 -58.65 133.47 55.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 16.9 t-20 85.59 -46.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 43' ' ' ALA . 1.8 mp0 -52.8 155.52 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -86.8 131.52 34.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -71.02 162.65 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.525 HG13 ' CE1' ' A' ' 53' ' ' TYR . 60.3 t -90.63 117.81 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 -7.28 22.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.09 -177.79 47.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 91' ' ' ALA . 75.1 m-85 -143.32 160.65 40.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -114.87 116.85 29.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 23.5 t -89.52 101.1 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.9 m-85 -89.16 100.69 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.433 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 29.1 p90 -109.95 136.13 49.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -155.3 149.6 25.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 87.6 m -63.02 171.02 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 p -44.05 -27.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.04 -81.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.98 149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.83 -60.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -125.77 114.61 18.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 p -61.99 150.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.7 mt-30 -98.58 162.69 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 10.0 t -121.31 136.23 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.83 131.8 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -82.34 132.74 35.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.07 115.46 7.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -90.62 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -158.26 -177.69 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.26 5.85 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.3 p -126.16 178.36 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -166.77 170.46 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 mt-10 -143.94 116.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 57' ' ' TYR . 16.8 mt -111.59 -177.94 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -96.89 155.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.42 146.09 34.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 122.94 7.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.4 mp -91.97 84.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 156.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.56 136.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.13 168.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 121.68 35.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 103' ' ' GLN . 1.1 mm -98.05 100.59 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.01 138.19 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -133.76 126.01 29.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.36 128.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -125.18 135.27 52.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -96.34 116.58 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -105.46 156.57 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.8 p -137.35 -171.45 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -13.48 58.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.06 -36.24 6.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.96 -160.48 29.41 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -179.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.76 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.91 -128.64 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m -105.79 153.47 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.413 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 8.0 p -101.91 124.52 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 p -59.38 -158.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.97 122.09 31.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 86' ' ' ILE . 4.6 pt20 -44.61 135.25 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -91.97 144.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -114.13 104.15 11.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.583 HG12 ' CE3' ' A' ' 27' ' ' TRP . 47.7 mt -111.63 111.91 54.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.98 143.0 28.6 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -50.46 -177.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.99 130.16 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -47.16 169.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -126.27 80.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -127.47 164.38 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.37 120.78 5.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.56 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 p 48.27 83.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.28 71.26 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -117.73 169.98 9.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -122.05 99.2 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.62 -170.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 m -121.47 82.89 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 0.744 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.56 81.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.95 -151.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -128.92 143.5 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -107.19 158.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -63.74 158.04 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 m -131.89 -46.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.8 t -159.72 107.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.1 p -134.01 151.48 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.5 167.94 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -85.31 -170.52 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -142.92 155.68 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.18 41.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' HG3' ' CB ' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.96 137.79 22.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.89 38.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -116.18 111.02 42.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.78 43.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.01 123.11 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.93 -173.31 39.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.9 t30 51.8 28.93 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 46.1 t -68.84 91.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -108.9 160.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 53.9 p-90 -136.05 178.54 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 107.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -167.31 165.07 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.58 118.72 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 HG21 ' CD1' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -144.17 158.09 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 32' ' ' THR . 14.1 m-20 50.11 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 34.7 p -156.87 42.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' CD ' HD22 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.56 174.72 13.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.6 t -118.12 107.41 21.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 30' ' ' THR . 18.8 mt -82.5 113.22 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' HG23 ' A' ' 87' ' ' ILE . 24.3 mt -96.97 155.27 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -162.69 123.17 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CD1' HG13 ' A' ' 89' ' ' VAL . 44.2 p90 -139.56 169.74 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -171.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.34 162.53 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.492 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 15.0 t -120.37 117.7 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -107.14 119.37 39.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -84.66 124.5 31.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -77.96 166.93 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 8.0 tt0 -37.55 134.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 16.8 t-20 90.91 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.7 147.84 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.6 m -84.42 134.74 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -65.7 162.04 19.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.439 ' CG2' HG13 ' A' ' 41' ' ' VAL . 71.1 t -90.79 122.54 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.3 p -96.62 -10.77 26.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.72 -164.32 32.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 91' ' ' ALA . 63.2 m-85 -150.0 164.19 36.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 78.7 mttt -125.15 117.31 23.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.535 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 46.6 t -88.88 99.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 64.7 m-85 -87.59 100.82 13.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 28.4 p90 -111.04 135.74 51.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.458 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 6.0 ptm180 -156.42 143.5 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 34.0 m -61.41 170.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -21.51 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -156.67 86.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -122.64 143.37 49.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.01 -66.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -135.56 158.4 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.4 p -90.81 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.541 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 2.1 mt-30 -98.41 175.18 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.1 t -136.9 133.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.73 128.53 54.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.3 133.92 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 t -153.53 123.76 7.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -92.52 21.96 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -128.28 -170.77 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -107.06 11.17 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 p -130.91 177.7 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.946 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.66 175.79 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 47.1 mt-10 -148.09 116.91 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -109.43 -178.06 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.35 -171.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -99.66 132.8 22.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.04 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.19 -53.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.56 164.25 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.59 141.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.82 176.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.89 121.56 32.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 mm -99.85 102.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.485 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -101.24 141.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -136.07 122.71 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG13 ' CD1' ' A' ' 38' ' ' TRP . 52.1 t -94.0 131.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.461 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -132.5 146.26 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -98.32 140.99 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.478 HG22 ' CA ' ' A' ' 53' ' ' TYR . 51.9 p -106.37 145.6 31.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' CD ' ' A' ' 18' ' ' PRO . 36.2 p -138.37 -175.49 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -22.36 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.91 -33.14 16.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.46 -131.31 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -174.88 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.43 -127.96 2.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -103.08 148.28 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.4 m -102.85 117.36 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.1 p -52.59 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 121.92 19.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -47.42 135.79 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.69 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -87.55 152.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -121.99 101.94 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.0 mt -113.65 99.76 50.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -75.04 172.33 16.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -37.63 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.19 140.21 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 55.3 p -51.1 162.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.9 82.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.59 -56.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.24 86.81 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.33 4.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m 61.21 114.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.04 91.83 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -111.3 159.65 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.949 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.66 136.76 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.5 145.46 49.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.96 147.3 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m 56.08 168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.91 95.94 0.1 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -138.15 156.27 47.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.95 159.85 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -155.36 139.7 16.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.5 139.48 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.3 p -134.69 129.83 35.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m 48.34 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.01 171.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -75.59 -175.34 2.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -137.14 154.55 75.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.2 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.441 ' HG3' ' CB ' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 144.71 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.93 29.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -112.99 112.2 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.15 41.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.97 128.32 11.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.91 -175.19 29.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.46 21.98 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 104' ' ' ILE . 42.4 t -64.32 90.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 21.4 m -106.61 159.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.711 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.6 p-90 -132.05 178.54 6.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -169.17 162.42 10.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.54 119.06 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.72 144.66 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.41 ' O ' ' CG2' ' A' ' 32' ' ' THR . 3.9 m-20 52.44 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' THR . 75.1 p -153.6 46.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 179.6 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' CG1' HD21 ' A' ' 36' ' ' LEU . 47.5 t -134.95 103.94 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 53.5 mt -82.61 108.41 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD21 ' CG1' ' A' ' 34' ' ' VAL . 86.6 mt -96.62 147.7 23.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.9 m-80 -149.63 143.75 25.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.464 ' CG ' HG11 ' A' ' 89' ' ' VAL . 42.7 p90 -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -106.93 155.3 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 12.4 t -115.51 112.89 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -103.57 120.0 40.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.441 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -89.81 135.28 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.7 ptp -88.52 178.52 6.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -37.47 137.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 4.4 t-20 87.01 -48.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.38 133.27 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 137.35 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -65.82 162.56 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.5 t -90.47 118.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.9 p -94.34 -16.55 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.17 -169.32 36.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.592 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 69.3 m-85 -145.48 173.83 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.746 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 43.4 mttt -128.41 124.13 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.559 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 41.7 t -95.79 96.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.1 m-85 -87.78 100.59 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 25.6 p90 -110.25 136.77 48.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -155.74 144.64 20.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.5 m -58.16 168.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p -42.91 -29.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 85.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -106.17 145.98 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.76 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -123.21 113.23 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.1 p -62.24 153.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 60.6 mt-30 -96.11 178.03 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.71 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 20.0 t -141.14 138.44 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -125.57 128.9 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -77.29 139.6 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.05 117.75 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -89.91 18.15 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 -172.54 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 7.49 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.16 -171.09 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.1 171.39 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 17.7 mt-10 -143.59 116.0 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 57' ' ' TYR . 14.3 mt -112.36 -178.3 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -96.18 153.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.99 144.0 94.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 129.08 11.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -77.57 -56.47 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' GLU . 4.8 mttt -145.65 163.87 33.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 82' ' ' LYS . 1.6 mt-10 60.53 144.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -53.08 175.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -132.04 121.41 23.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.585 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -100.22 105.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -104.48 133.32 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -128.05 128.2 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 38' ' ' TRP . 57.9 t -101.87 125.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' LYS . 5.8 mttm -122.08 146.63 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -94.64 141.75 28.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.447 HG22 ' CA ' ' A' ' 53' ' ' TYR . 30.7 p -114.48 148.29 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.0 p -138.74 -168.88 2.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -12.16 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.51 -35.66 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.7 -136.35 4.68 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -172.56 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -140.33 -136.46 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m -93.36 153.74 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 5.1 p -105.81 128.23 53.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -70.33 165.91 21.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 123.7 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 86' ' ' ILE . 3.6 pt20 -51.84 136.17 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.711 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -87.46 137.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -108.1 100.92 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.513 HG12 ' CE3' ' A' ' 27' ' ' TRP . 84.3 mt -112.18 97.78 40.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.5 Cg_endo -74.97 162.62 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 11.0 mtp180 -38.52 141.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.06 139.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -53.8 174.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.51 86.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 p -113.05 83.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.81 -92.8 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.44 31.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 148.26 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.1 p -68.68 155.72 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.8 116.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.29 173.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.13 175.37 42.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -170.59 88.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.13 160.37 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.8 129.28 1.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -167.14 121.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.389 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.4 153.46 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -171.6 121.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.1 p -168.1 68.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -69.69 -36.79 76.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.01 58.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.58 133.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -96.54 -171.19 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.4 p -134.84 152.64 77.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -21.39 15.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.759 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 57.86 16.65 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -107.02 114.88 61.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.38 42.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 132.96 15.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.81 -173.42 31.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 t30 50.28 26.31 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 104' ' ' ILE . 42.0 t -63.07 96.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.51 149.95 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -131.94 178.92 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -171.24 167.22 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.88 112.56 8.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.8 t -152.15 161.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 43.17 39.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.8 OUTLIER 54.67 40.41 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -141.37 178.99 7.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.0 t -130.62 100.5 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 55.3 mt -83.01 106.14 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' HD13 ' A' ' 77' ' ' LEU . 86.4 mt -96.22 145.55 25.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -156.31 122.58 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.559 ' CD2' ' O ' ' A' ' 73' ' ' THR . 45.8 p90 -134.15 171.43 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -173.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -108.8 155.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.85 119.65 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -117.55 124.22 48.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . -77.7 155.27 31.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.2 mtt -93.91 -171.1 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.566 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 17.9 tt0 -53.27 130.08 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 2.5 t-20 87.18 -45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 43' ' ' ALA . 2.2 mp0 -57.76 160.34 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.3 m -96.79 138.35 34.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.23 161.17 30.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG12 ' CZ ' ' A' ' 53' ' ' TYR . 78.4 t -87.28 119.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -92.02 -12.54 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -179.33 -156.96 18.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' CD1' ' C ' ' A' ' 52' ' ' GLY . 75.8 m-85 -155.96 166.54 33.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 47.2 mttt -126.8 116.81 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.554 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 35.5 t -89.58 100.08 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 43.9 m-85 -88.19 100.99 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD2' HD21 ' A' ' 77' ' ' LEU . 29.2 p90 -110.76 136.41 49.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -155.79 147.28 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.4 m -65.66 172.43 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -61.06 -16.56 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -164.93 72.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.07 -172.47 2.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -82.9 -70.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -139.3 126.06 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 66' ' ' GLN . 11.5 p -59.28 149.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.0 mt-30 -105.02 171.18 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.7 t -124.7 146.25 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.554 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.19 130.78 41.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.88 135.29 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.56 113.1 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -83.89 52.28 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 179.36 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 30.0 p -94.29 9.46 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -118.98 177.4 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -176.91 167.7 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.5 mt-10 -144.28 117.5 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 57' ' ' TYR . 2.5 mt -114.84 170.96 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -78.41 177.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.11 148.27 67.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.1 mp -87.19 84.1 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 152.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 64.07 140.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' HB3' ' A' ' 60' ' ' SER . 9.0 m-20 -52.94 178.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 121.7 21.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mm -100.11 106.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -103.42 142.21 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -136.41 123.27 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.559 HG13 ' CD1' ' A' ' 38' ' ' TRP . 55.3 t -93.73 130.13 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -126.08 152.07 46.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.19 123.68 50.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 HG21 ' CA ' ' A' ' 53' ' ' TYR . 16.5 p -93.34 152.2 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -138.22 -170.72 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -26.13 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.87 -37.75 15.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.71 -135.03 4.04 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -179.24 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.31 -131.69 3.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -102.44 155.2 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.4 m -106.45 124.79 50.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 6.4 p -55.67 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.63 124.09 26.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -47.12 134.66 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -88.18 160.19 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -130.68 100.23 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.558 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.6 mt -114.71 102.41 54.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.89 30.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -40.39 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.61 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.7 p 40.63 47.97 2.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -75.31 -73.08 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 p -45.6 114.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.83 98.53 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.38 7.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -155.68 81.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.4 m -108.03 -59.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p 64.48 164.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -155.81 106.84 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.0 179.9 16.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -161.89 169.01 22.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 0.761 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -166.58 -57.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.74 -159.87 17.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -154.23 134.67 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.21 173.88 10.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 60.25 167.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.01 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -104.41 173.61 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -66.6 140.3 57.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 67.88 161.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -71.99 -171.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.5 p -138.5 152.46 71.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.81 39.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.77 18.96 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -104.97 113.97 64.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.51 42.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.1 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.47 -175.22 35.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 48.39 33.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 HG23 ' CB ' ' A' ' 101' ' ' SER . 30.1 t -69.34 92.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 22.5 m -108.4 160.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.686 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.7 p-90 -134.24 178.64 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -167.2 162.29 15.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.98 120.75 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -138.65 145.29 40.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 50.8 -90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.9 p -152.31 45.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 177.98 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 t -133.47 103.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.5 mt -82.55 108.7 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.406 ' C ' ' OD1' ' A' ' 37' ' ' ASN . 77.6 mt -96.73 143.97 27.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -146.55 139.81 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.512 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.9 p90 -156.19 154.8 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 179.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -98.8 162.54 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.2 t -124.71 112.34 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -108.05 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.37 142.34 50.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -97.82 -167.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER 32.13 -142.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -93.58 25.96 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -68.44 173.27 5.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -91.1 119.97 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -65.58 165.17 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.543 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 74.6 t -87.3 119.06 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -92.62 -12.74 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.26 -155.61 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.543 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 60.7 m-85 -156.4 159.6 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.48 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 57.3 mttt -123.05 127.82 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.506 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 33.1 t -99.72 104.71 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . 46.4 m-85 -91.73 101.15 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.6 p90 -108.79 135.51 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -159.25 136.27 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 170.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -17.01 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -148.69 76.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.87 142.17 47.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.54 -66.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -129.16 134.37 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 11.4 p -73.26 150.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 14.5 mt-30 -99.91 167.96 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.0 t -123.46 148.63 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.14 128.6 32.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.59 130.77 37.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.05 111.61 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -89.43 45.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -179.91 8.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -92.96 6.99 45.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.17 -179.35 5.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.86 173.17 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.3 mt-10 -143.84 115.85 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.7 mt -113.39 -179.36 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.42 156.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -71.91 140.07 83.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HB3' ' CD1' ' A' ' 85' ' ' TYR . 18.4 Cg_endo -74.97 157.49 42.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.99 -50.52 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -141.12 158.49 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.28 142.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.05 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.406 ' CD1' ' HB3' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -126.5 121.56 32.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -100.58 101.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.427 HD12 ' CD1' ' A' ' 106' ' ' ILE . 0.6 OUTLIER -101.07 142.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -137.16 122.59 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.512 HG11 ' CG ' ' A' ' 38' ' ' TRP . 51.9 t -93.73 132.09 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' CE ' ' OG ' ' A' ' 100' ' ' SER . 0.3 OUTLIER -130.53 150.64 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.437 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -106.26 129.48 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 32.4 p -94.18 152.33 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' GLY . 16.1 p -137.37 -173.48 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.11 -18.52 61.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.21 -31.61 7.92 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 93' ' ' THR . . . 153.04 -150.22 21.94 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.92 174.79 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.78 -121.7 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -111.9 148.63 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.446 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.1 m -96.27 133.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.476 ' CB ' HG23 ' A' ' 25' ' ' VAL . 96.2 p -69.96 -166.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 126.96 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' HG3' ' A' ' 88' ' ' GLU . 31.1 mt-30 -53.51 137.62 35.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.686 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -92.71 154.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.35 107.9 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.572 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 33.3 mt -121.09 98.01 47.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.82 34.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -39.15 132.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 121.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.48 127.12 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.98 -47.3 11.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 t -160.03 105.35 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.78 150.68 22.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.2 m 66.83 131.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.37 -60.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.64 110.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.965 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 p -162.41 166.47 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.44 152.46 43.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -123.94 132.03 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 0.775 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.8 p -156.23 154.93 31.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.57 118.83 0.78 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -86.41 142.52 28.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.57 162.84 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 61.72 162.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.9 t 59.98 100.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -83.43 -48.41 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 m 58.7 84.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.421 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 169.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -99.29 -177.4 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -151.35 155.36 34.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 148.9 35.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 140.64 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 34.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -113.74 110.24 49.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.61 42.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 129.51 12.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.89 -172.67 36.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.6 t30 51.26 26.27 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 44.7 t -66.48 91.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.4 m -107.08 169.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 58.6 p-90 -147.8 178.27 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -170.75 164.42 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.67 103.97 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.467 ' CG2' HD21 ' A' ' 35' ' ' LEU . 2.1 t -152.5 163.82 38.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.1 m-20 56.32 22.67 6.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.521 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER 66.82 37.09 4.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' CD ' HD13 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -151.9 173.45 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 51.7 t -115.01 116.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.71 111.56 23.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD1' HG23 ' A' ' 87' ' ' ILE . 45.5 mt -97.29 145.0 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.02 130.19 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.528 ' CG ' HG13 ' A' ' 89' ' ' VAL . 48.4 p90 -146.98 154.1 40.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -175.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.92 112.73 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.13 112.45 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -48.13 151.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -169.32 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 124.08 21.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 71.02 29.81 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -119.74 160.59 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 123.45 36.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 2.8 pt-20 -54.52 163.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.554 HG13 ' CE1' ' A' ' 53' ' ' TYR . 53.7 t -89.49 116.88 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -97.05 -12.9 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.69 -171.29 37.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CE1' HG13 ' A' ' 50' ' ' VAL . 80.3 m-85 -147.04 168.16 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 36.9 mttt -126.97 117.02 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.549 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 35.1 t -92.34 99.95 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' GLU . 45.9 m-85 -89.58 100.76 13.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 20.3 p90 -109.97 135.57 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.1 ptm180 -155.62 152.95 29.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' A' ' 83' ' ' GLU . 86.4 m -65.75 169.12 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -44.54 -34.45 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.03 -77.83 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.39 -160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.25 -52.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -135.43 119.34 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 p -67.66 151.28 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.1 mt-30 -99.88 168.11 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 56' ' ' PHE . 40.6 t -125.85 146.83 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.93 122.39 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.59 130.3 37.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -145.99 130.31 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -98.26 3.89 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.51 165.52 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -81.91 6.96 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -175.34 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.76 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 17.6 mt-10 -142.05 118.36 10.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 mt -116.48 -178.03 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.3 m -88.57 -175.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.47 148.39 34.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.22 -53.26 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 156.55 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 59' ' ' THR . 4.1 mt-10 62.8 138.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 m-20 -51.78 172.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.93 122.14 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.54 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.1 mp -101.85 104.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 106' ' ' ILE . 1.1 mt -101.36 146.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -138.43 122.72 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.528 HG13 ' CG ' ' A' ' 38' ' ' TRP . 98.9 t -93.83 127.93 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 3.1 mttm -124.82 154.08 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -108.7 135.2 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 24.1 p -105.91 148.51 27.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.0 p -138.3 -169.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.41 61.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.78 -37.33 10.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.52 -128.37 1.99 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -179.5 5.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -130.88 -132.85 3.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.6 m -100.26 155.04 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.427 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 21.8 p -107.35 117.08 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.7 p -52.75 -177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.7 125.34 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.482 ' CG ' HG23 ' A' ' 86' ' ' ILE . 19.2 mt-30 -47.27 137.23 8.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -92.41 161.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.41 112.71 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.536 HG12 ' CE3' ' A' ' 27' ' ' TRP . 8.7 mt -123.47 93.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.34 40.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -45.73 139.77 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.1 pp -107.79 168.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 109' ' ' ILE . 2.9 p -159.0 33.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 110' ' ' THR . 2.2 p 161.78 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -53.33 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.19 -175.54 40.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.1 p -118.4 146.73 44.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.34 88.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.26 169.82 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.72 164.99 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.78 176.01 21.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.9 160.15 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.67 172.54 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.06 -152.22 7.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.5 p -81.49 79.66 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.67 43.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.88 131.69 35.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 m -135.77 137.08 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 t -82.01 53.99 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -120.39 174.49 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 154.94 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.33 -171.59 3.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.49 155.57 63.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 154.03 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.6 31.77 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.9 m -89.7 29.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -110.79 109.06 57.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.41 41.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 120.79 6.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.72 -171.78 36.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t30 54.56 22.56 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 24.1 t -65.82 90.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.2 m -106.36 156.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.6 p-90 -127.26 178.19 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -167.14 162.34 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.71 122.75 19.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.32 144.35 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' O ' ' CG2' ' A' ' 32' ' ' THR . 47.8 m-20 51.98 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' THR . 31.9 p -154.75 45.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.02 177.98 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.4 t -132.0 103.64 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 41.9 mt -82.65 112.19 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 87' ' ' ILE . 32.7 mt -97.51 157.62 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -162.61 123.36 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.57 ' CD1' HG11 ' A' ' 89' ' ' VAL . 48.8 p90 -139.77 153.6 47.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 178.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -96.77 177.88 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.429 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.7 t -143.24 113.4 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -108.21 123.74 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . -90.97 138.35 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.49 177.48 5.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 1.4 tt0 -37.12 135.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 6.3 t30 88.62 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.16 134.68 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -75.81 137.27 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.066 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -64.23 162.54 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.518 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 53.1 t -86.37 127.9 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -100.46 -18.98 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -173.74 -156.2 13.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 91' ' ' ALA . 70.1 m-85 -156.95 149.82 23.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -111.89 118.86 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 40.9 t -91.0 104.54 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 21.7 m-85 -89.04 100.68 13.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 23.1 p90 -109.58 135.79 50.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.0 ptm180 -160.82 138.49 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.1 m -60.6 171.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 t -65.08 -15.01 61.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.54 88.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.6 170.71 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.07 -76.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -124.54 133.06 53.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.1 p -66.2 157.75 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.4 mt-30 -108.09 162.55 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.68 138.38 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.98 130.19 53.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.87 122.38 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.87 22.07 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -173.14 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.49 7.94 44.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -127.52 -173.32 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -171.61 172.72 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 29.3 mt-10 -144.87 116.37 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -109.22 -178.24 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 m -92.26 162.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.8 134.95 81.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.85 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -79.39 -59.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 61.45 143.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -59.3 162.7 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -114.75 121.24 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.584 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -99.0 113.94 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.469 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -111.75 134.6 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 38' ' ' TRP . 78.4 t -102.66 149.53 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -161.89 130.17 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.59 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -68.32 154.86 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -126.5 146.04 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.436 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.7 p -133.31 175.56 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -10.89 58.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.41 -37.99 6.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.78 -149.52 16.37 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.38 175.74 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -137.92 5.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.7 m -99.39 154.05 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 9.5 p -100.59 110.39 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.1 p -57.65 170.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.5 122.1 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -55.92 139.83 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.689 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.3 mt -87.48 161.29 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -133.89 97.25 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.532 HG12 ' CD2' ' A' ' 27' ' ' TRP . 5.7 mt -109.65 100.47 42.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -40.75 138.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.44 130.56 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 p -55.81 112.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.2 t -106.8 93.42 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.5 166.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.35 121.02 4.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.7 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.16 171.21 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.8 m -163.5 103.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 84.8 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -162.1 165.87 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 -93.39 0.7 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.165 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m 60.9 169.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -99.75 169.54 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.41 -159.03 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -95.96 156.34 16.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.61 145.11 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.78 155.43 39.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.89 54.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -61.39 173.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -132.28 56.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -139.77 153.56 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.67 176.21 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -143.83 159.13 54.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.67 30.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.428 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 18.4 Cg_endo -74.91 141.41 26.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 37.86 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.465 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 6.6 mt-30 -106.89 107.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 151.07 38.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.98 128.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.6 -169.97 34.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 47.98 28.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 22.8 t -69.17 89.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.3 m -106.34 163.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.3 p-90 -134.79 177.3 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -169.85 168.02 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.18 116.13 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -151.84 150.67 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' THR . 1.6 m-20 39.47 63.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER 36.04 53.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 176.85 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.6 t -132.88 101.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 58.3 mt -82.01 111.65 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 87' ' ' ILE . 34.8 mt -97.29 156.45 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -160.16 131.02 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.599 ' CD1' HG13 ' A' ' 89' ' ' VAL . 46.4 p90 -149.61 148.11 28.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 174.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -92.33 163.82 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 20' ' ' GLN . 2.2 t -120.23 113.31 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.49 112.39 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 18' ' ' PRO . . . -41.04 152.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.432 ' N ' ' HB2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -84.74 -166.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.22 119.32 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 m120 60.48 46.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HB2' ' N ' ' A' ' 44' ' ' MET . 4.4 mm-40 -122.07 161.8 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -85.46 123.13 30.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -57.54 162.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.3 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 53' ' ' TYR . 54.8 t -86.74 120.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -99.61 -14.1 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.24 -163.68 24.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE1' HG11 ' A' ' 50' ' ' VAL . 73.0 m-85 -154.87 160.01 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 19.7 mttm -118.37 117.39 28.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 42.0 t -91.84 99.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 47.5 m-85 -89.91 100.44 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 21.2 p90 -109.68 136.41 49.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -156.08 145.06 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.7 m -63.51 170.35 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p -50.29 -24.1 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.04 87.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -111.41 173.48 6.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -65.79 -64.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.5 131.07 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG21 ' C ' ' A' ' 57' ' ' TYR . 9.0 p -62.71 152.65 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 mt-30 -107.59 157.41 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 HG23 ' CE2' ' A' ' 56' ' ' PHE . 30.4 t -113.09 149.32 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.75 129.29 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.47 120.56 26.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.43 ' CG2' HG22 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -134.41 119.1 18.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.5 41.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 -172.08 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -103.4 10.2 37.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.0 p -130.97 -178.59 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -167.66 170.66 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 19.8 mt-10 -142.78 115.56 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -110.37 -177.64 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.18 155.64 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -62.98 144.6 97.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 127.83 11.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.802 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -81.02 -55.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 155.37 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.14 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -48.52 170.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.73 121.5 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -99.7 111.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.59 142.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -135.58 122.04 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 38' ' ' TRP . 61.3 t -93.07 130.15 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.2 mtmt -126.87 153.47 45.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.77 130.66 55.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 4.8 p -105.12 150.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 23.9 p -138.76 -168.62 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -13.07 61.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.18 -34.81 5.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.58 -142.48 9.5 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -73.47 -170.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.7 -123.94 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.6 m -104.83 153.09 21.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.3 m -104.74 125.57 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.9 p -60.76 -175.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 124.63 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.472 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 12.0 mt-30 -49.96 133.2 22.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.668 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.1 mt -87.27 160.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -132.03 101.4 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 27' ' ' TRP . 11.3 mt -114.13 97.5 45.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.2 Cg_endo -75.02 163.79 34.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.8 mpp_? -37.37 146.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -70.37 133.52 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.7 p -46.3 164.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -52.69 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.0 t -158.3 120.69 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.96 157.6 19.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.56 1.162 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 93.0 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.2 p 52.47 175.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.2 t -124.87 109.12 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.62 133.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.041 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.4 p 179.37 145.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.32 122.42 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -168.0 137.23 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.88 168.31 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.68 112.74 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -167.31 147.21 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.06 146.34 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -177.39 129.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 3.7 p -122.09 109.78 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -114.96 152.11 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 m -130.68 82.22 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt 173.41 138.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -99.67 -175.14 2.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 p -135.92 159.27 71.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' HA ' ' OG ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -75.03 166.96 28.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.04 -18.06 18.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 11.75 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.31 112.63 60.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.43 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.0 125.19 9.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.81 -170.29 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 48.62 25.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 61.7 t -64.87 92.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 23.8 m -106.72 158.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.0 p-90 -133.95 177.33 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -167.83 164.46 14.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.12 116.96 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -141.42 156.89 45.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' O ' ' CG2' ' A' ' 32' ' ' THR . 8.2 m-20 49.08 -92.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' THR . 36.2 p -156.09 43.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.434 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.2 172.18 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -117.32 108.1 23.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 17.5 mt -82.44 108.21 15.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.1 mt -97.3 146.87 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.79 128.14 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.582 ' CD1' HG12 ' A' ' 89' ' ' VAL . 47.9 p90 -141.31 164.09 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -172.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -110.68 159.31 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.2 t -125.23 118.49 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -111.83 120.34 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . . . -78.41 153.37 31.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mmm -62.06 -175.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.54 3.81 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 29.06 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 17' ' ' PRO . 1.2 mm-40 -141.59 173.63 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.512 ' OG ' ' CG2' ' A' ' 93' ' ' THR . 60.5 p -83.66 122.97 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -69.03 158.66 34.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG12 ' CE2' ' A' ' 53' ' ' TYR . 54.7 t -82.71 112.96 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.5 p -99.88 -10.62 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.76 -170.41 40.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 50' ' ' VAL . 61.9 m-85 -147.07 158.16 43.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 87.3 mttt -121.03 117.47 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.553 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 34.9 t -87.9 110.57 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 67' ' ' VAL . 64.6 m-85 -98.25 100.92 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.7 p90 -110.28 136.43 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -156.74 138.68 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.419 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -57.21 168.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -43.87 -38.23 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -141.51 79.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' OG1' ' A' ' 59' ' ' THR . 3.0 tp-100 -101.67 142.98 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -64.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -132.94 121.32 22.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' ' 57' ' ' TYR . 8.2 p -62.01 153.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.0 mt-30 -100.85 176.86 5.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.573 HG22 ' CE1' ' A' ' 56' ' ' PHE . 47.8 t -135.17 146.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.553 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.87 128.75 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -76.72 135.61 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.43 116.58 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.21 24.62 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.9 174.31 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.08 10.87 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.5 -173.88 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -172.71 171.6 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.9 mt-10 -145.28 116.01 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mt -114.66 -178.24 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.58 -173.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -102.92 137.69 19.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.28 11.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.09 -49.61 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -144.95 165.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.28 138.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 m-20 -54.43 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.63 123.59 35.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -101.9 102.15 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 106' ' ' ILE . 0.9 OUTLIER -100.45 142.49 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -137.57 125.71 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 38' ' ' TRP . 48.2 t -95.51 132.56 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.7 mtmt -133.39 146.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.531 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -96.87 145.62 25.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 61.8 p -109.47 150.0 28.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.512 ' CG2' ' OG ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -138.58 -179.98 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -14.77 61.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.2 -34.61 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.06 -144.31 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 174.5 8.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.12 -131.04 4.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -107.03 151.88 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 101' ' ' SER . 0.7 OUTLIER -95.9 128.05 42.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.445 ' CB ' HG23 ' A' ' 25' ' ' VAL . 32.9 p -59.91 -150.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.2 121.85 36.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.48 ' CG ' HG21 ' A' ' 86' ' ' ILE . 29.3 mt-30 -46.24 134.51 8.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.699 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -92.09 153.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -123.26 105.59 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.562 HG12 ' CE3' ' A' ' 27' ' ' TRP . 6.2 mt -118.48 96.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.1 Cg_endo -75.0 162.47 37.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 8.0 mtp180 -37.83 136.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.08 144.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.9 p -69.02 -62.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.1 78.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -154.08 -51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.79 121.5 1.23 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 173.22 14.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 153.06 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -171.39 129.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.53 150.98 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.048 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -166.53 169.4 13.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.82 166.31 33.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 160.48 43.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 0.74 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -97.99 146.99 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.16 93.96 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -152.15 152.62 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -83.03 150.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.46 -55.71 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.55 145.69 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -125.71 175.68 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -140.07 115.46 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 57.76 163.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -117.26 -178.36 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -139.17 157.68 70.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.63 38.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.806 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 139.4 24.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 36.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -116.42 109.14 44.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.74 42.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.5 Cg_endo -74.99 125.05 9.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 -176.09 35.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t30 56.03 23.27 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 23.7 t -65.17 90.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 22.0 m -107.04 157.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 57.1 p-90 -132.03 178.34 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -168.98 163.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.7 120.39 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.94 146.45 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.418 ' O ' ' CG2' ' A' ' 32' ' ' THR . 18.6 m-20 51.09 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 48.3 p -153.97 43.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -148.67 163.0 38.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 43.2 t -118.45 102.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 30.3 mt -82.62 113.22 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD1' HG21 ' A' ' 87' ' ' ILE . 42.6 mt -96.88 159.83 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -164.21 127.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -145.85 150.91 37.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -177.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -104.17 158.5 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.3 t -116.55 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.94 115.87 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 153.29 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -173.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.92 8.13 13.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -132.85 29.58 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -145.33 -174.26 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -104.81 126.59 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.56 165.72 7.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 53' ' ' TYR . 71.7 t -94.38 127.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 p -109.11 -10.04 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.99 -168.12 32.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 50' ' ' VAL . 68.6 m-85 -155.22 161.35 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 73.9 mttt -120.35 119.09 32.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.523 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 40.5 t -91.44 100.75 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 51.6 m-85 -86.8 101.6 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 26.1 p90 -110.34 136.21 49.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.7 ptm180 -156.32 144.69 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 m -66.6 177.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.42 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -69.86 -7.22 38.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.64 97.5 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -156.69 -44.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 62' ' ' GLN . 9.1 t30 82.44 -66.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -76.04 102.92 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.3 p -86.55 153.18 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 32.7 mt-30 -96.74 178.18 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.541 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.5 t -137.11 135.92 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.523 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.2 128.16 53.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -79.88 123.77 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.66 125.93 21.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -97.84 37.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -172.99 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.11 4.8 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 p -125.81 -175.7 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -170.57 173.98 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 51.5 mt-10 -147.6 118.77 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.3 mm? -109.27 -177.98 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -97.65 153.22 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.35 137.73 88.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.2 mp -67.47 -63.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -141.29 162.73 34.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 66.02 143.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' N ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.43 167.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.4 t80 -123.4 121.4 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mm -100.87 112.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.474 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 140.82 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -135.47 121.84 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.9 t -90.88 136.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 1.5 mttm -133.92 146.72 50.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 53' ' ' TYR . . . -102.69 135.31 44.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.472 HG21 ' CA ' ' A' ' 53' ' ' TYR . 29.4 p -104.26 146.83 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.8 p -138.24 -173.64 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -14.3 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.89 -34.98 5.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.11 -144.42 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 173.56 10.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.24 -128.59 3.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -97.96 151.37 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.367 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -102.07 112.87 25.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.6 p -49.52 177.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.84 122.84 17.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -48.6 136.53 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.69 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -89.34 159.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -130.97 97.4 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.569 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 7.7 mt -111.48 99.24 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.28 27.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -41.91 141.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.1 135.86 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.7 p 41.15 -143.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.04 62.33 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.6 m -116.5 -63.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.91 -142.97 3.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' SER . 18.2 Cg_endo -74.99 -36.38 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 114' ' ' PRO . 12.5 t 57.81 111.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -160.02 112.95 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.73 122.82 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.26 153.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.53 69.45 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -120.03 153.76 35.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -175.06 150.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 169.59 30.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -169.85 135.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.95 137.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.34 155.83 49.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.78 127.02 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -152.02 122.68 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 m -120.15 60.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.1 177.66 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.79 -175.25 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 p -141.78 158.12 63.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 156.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.54 21.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.407 ' O ' ' OG1' ' A' ' 99' ' ' THR . 4.6 m 54.58 18.96 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -89.16 113.11 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.03 18.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.76 . . . . 0.0 110.969 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.38 -172.52 30.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 45.58 32.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' A' ' 104' ' ' ILE . 61.7 t -68.28 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 27.6 m -106.62 175.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 69.4 p-90 -153.33 178.66 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -162.73 158.24 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.39 122.13 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.52 ' CG2' HD21 ' A' ' 35' ' ' LEU . 1.5 t -150.88 160.65 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' O ' ' CG2' ' A' ' 32' ' ' THR . 32.5 m-20 44.63 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' THR . 41.1 p -155.81 44.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.49 161.37 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 31.6 t -117.24 107.99 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.52 HD21 ' CG2' ' A' ' 30' ' ' THR . 1.0 OUTLIER -87.25 116.97 25.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 87' ' ' ILE . 35.4 mt -99.61 157.46 16.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -163.53 123.37 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 73' ' ' THR . 47.6 p90 -139.52 169.33 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -166.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -111.68 171.77 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG11 ' CG2' ' A' ' 50' ' ' VAL . 2.3 t -133.35 113.98 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -102.72 111.24 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -50.35 163.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -170.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 1.2 tt0 -65.32 124.75 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 45' ' ' GLU . 14.3 m-20 72.4 34.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.92 158.22 39.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -88.45 117.64 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 2.6 pt-20 -59.28 160.34 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.2 t -82.51 121.6 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 p -101.0 -8.04 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -175.02 -159.29 20.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 47.8 m-85 -157.41 160.63 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -125.26 117.31 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.545 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 40.0 t -91.26 110.2 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CE ' ' A' ' 90' ' ' LYS . 26.6 m-85 -94.31 100.66 12.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 16.7 p90 -108.71 135.34 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.1 ptm180 -155.35 130.84 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 54.7 m -64.41 168.47 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -60.61 103.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m 63.7 76.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 10.1 tm0? -101.96 -71.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' GLN . 2.2 m-20 161.17 -75.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -122.09 111.93 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 13.3 p -63.63 154.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 44.9 mt-30 -102.63 177.18 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.1 t -135.09 138.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.66 122.34 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.28 123.91 29.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 139.58 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.79 48.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.26 177.41 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -95.27 7.1 47.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.425 ' O ' ' CH2' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -126.98 -175.22 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.74 173.48 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 50.4 mt-10 -144.07 117.22 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD12 ' CD1' ' A' ' 57' ' ' TYR . 1.1 mm? -109.4 -177.95 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.75 153.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.51 150.06 3.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.04 5.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -80.89 89.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 62.23 -96.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -38.29 141.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 60' ' ' SER . 3.5 m-20 -51.76 -177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.6 t80 -137.01 121.76 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mm -100.54 107.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -103.52 141.72 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.3 mt-10 -137.65 123.54 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 66.2 t -102.4 140.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.602 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.64 126.53 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.555 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -73.11 144.56 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -119.97 154.77 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -136.69 -178.93 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -30.61 71.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.68 -40.79 45.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.11 -177.36 38.34 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.79 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.8 -142.17 5.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.5 m -95.5 156.26 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.467 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 12.3 p -101.54 125.7 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.5 p -67.79 -174.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 121.92 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -48.9 134.04 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.608 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -88.1 159.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -129.35 101.51 6.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 36.1 mt -115.79 101.93 54.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.29 33.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 176.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.73 115.32 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.44 151.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 m -101.56 147.71 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.9 m -150.72 82.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -121.03 174.29 15.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.02 5.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -170.74 -58.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m 56.82 88.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.98 133.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.79 169.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.49 -114.9 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 6' ' ' SER . 7.5 m 65.78 127.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 162.84 159.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.27 175.64 47.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.9 m -121.12 131.53 54.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' CG2' ' N ' ' A' ' 10' ' ' ASN . 18.5 m -69.4 -51.48 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.409 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 1.1 t-20 168.77 105.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.82 143.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p 43.77 -156.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.448 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.55 115.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -159.4 157.96 31.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -91.11 164.34 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -147.57 162.22 32.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -74.98 152.11 40.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.34 36.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -91.16 28.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -103.6 109.79 62.65 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 152.41 40.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 123.93 8.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.778 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.56 -174.81 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.14 19.41 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.481 ' CG1' HD12 ' A' ' 104' ' ' ILE . 29.3 t -61.95 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.3 m -106.3 153.34 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.9 p-90 -128.86 178.48 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -172.79 166.91 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.93 116.92 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -151.67 152.95 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.6 43.27 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 ' CA ' HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER 52.86 40.1 30.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' THR . 14.9 ttmm -142.11 161.75 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 69.3 t -115.44 106.32 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 31.6 mt -89.22 111.83 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD1' HG22 ' A' ' 87' ' ' ILE . 65.4 mt -97.11 146.84 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -154.48 123.75 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.518 ' CD1' HG12 ' A' ' 89' ' ' VAL . 47.6 p90 -135.86 158.04 45.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -177.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -98.57 173.34 6.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 t -135.23 116.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -91.66 119.73 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -59.87 144.93 47.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -164.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 11.5 tp10 -75.75 121.86 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 1.7 t-20 83.01 -3.0 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -88.97 155.32 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.56 128.08 35.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 3.0 pt-20 -56.39 162.17 2.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 53' ' ' TYR . 69.6 t -82.25 112.25 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -92.89 -3.44 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.66 -175.34 45.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE2' HG13 ' A' ' 50' ' ' VAL . 51.8 m-85 -140.67 163.06 33.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -121.82 117.32 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.509 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 46.6 t -89.25 113.54 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 51.2 m-85 -104.94 101.23 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.409 ' C ' HG23 ' A' ' 65' ' ' VAL . 15.3 p90 -109.01 135.99 49.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -153.63 140.03 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -56.51 166.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -48.61 -46.68 39.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m -120.86 83.4 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -117.34 154.79 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -86.28 -58.87 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -122.84 128.87 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 8.5 p -81.31 155.73 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -96.46 178.16 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.5 t -137.02 151.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -138.24 126.96 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.53 135.54 39.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.86 123.9 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -97.21 20.74 10.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 170.66 13.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.07 14.92 6.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.8 m -139.49 178.1 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.46 178.46 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.8 mt-10 -148.45 118.5 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' A' ' 36' ' ' LEU . 12.4 mt -117.14 -177.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -99.44 153.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.401 HD23 ' CA ' ' A' ' 32' ' ' THR . 3.6 pp -62.16 143.28 95.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 134.52 17.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -79.98 -66.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.84 157.42 42.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.75 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -49.18 174.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.89 120.79 26.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -99.29 112.97 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.417 HG22 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -108.8 143.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -137.79 132.72 33.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.518 HG12 ' CD1' ' A' ' 38' ' ' TRP . 57.7 t -118.02 132.23 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -140.8 138.84 34.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -80.65 129.38 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.09 141.4 48.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.396 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -121.42 -171.06 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -12.04 61.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.32 -35.13 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.71 -151.25 21.69 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -87.31 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 -131.24 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.4 m -105.18 143.13 33.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.759 . . . . 0.0 110.364 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.464 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 3.6 m -92.63 132.19 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.9 p -67.86 177.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 122.89 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 36.8 mt-30 -48.28 136.09 12.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.616 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.3 mt -86.68 161.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.41 98.96 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.0 mt -112.55 98.33 43.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.92 39.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -38.59 139.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 125.18 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 134.04 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -44.18 23.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.8 p -134.88 153.88 51.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.57 140.71 12.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 177.19 8.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.7 t -117.02 143.24 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.7 m -129.76 126.09 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -169.89 156.35 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -162.55 170.58 18.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.04 -170.71 20.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.097 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -178.46 171.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -172.48 172.74 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 97.56 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -132.7 -168.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.31 175.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -159.8 107.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -110.31 -176.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -119.73 138.99 52.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -171.27 147.68 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.73 152.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -70.76 -171.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -146.48 157.61 48.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.98 42.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -17.0 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m 59.32 17.25 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 13.0 mt-30 -88.16 113.77 56.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 147.46 33.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.01 131.07 13.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.48 -174.55 35.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 t30 48.24 29.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 58.8 t -66.53 93.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 23.3 m -107.58 172.27 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.1 p-90 -147.07 178.34 8.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -167.14 162.53 15.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.86 119.04 14.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.66 145.35 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 49.68 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' THR . 26.7 p -151.23 45.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -144.41 -179.36 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.2 t -139.42 103.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.0 mt -82.76 109.38 16.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.6 mt -97.02 145.76 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -148.08 142.85 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.503 ' CE3' HG21 ' A' ' 89' ' ' VAL . 48.2 p90 -159.11 147.4 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 176.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -100.75 157.46 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t -114.76 114.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -98.6 114.54 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -57.98 153.85 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -169.93 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 1.5 tt0 -66.11 121.99 16.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER 75.68 29.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -123.28 152.96 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 121.62 26.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 3.1 pt-20 -63.02 164.74 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.519 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 97.6 t -93.13 119.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -101.42 -2.04 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . 179.02 -161.96 28.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.6 m-85 -156.9 160.56 39.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -116.49 116.53 27.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.496 ' HB ' ' CD2' ' A' ' 68' ' ' LEU . 43.1 t -89.42 111.03 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 49.1 m-85 -99.9 100.31 11.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.536 ' CD1' HD23 ' A' ' 77' ' ' LEU . 31.4 p90 -108.81 137.03 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.7 ptm180 -153.08 144.85 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -67.59 165.9 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -48.73 -23.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.17 90.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.8 173.94 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.5 -169.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -40.36 118.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.2 p -48.07 157.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 mm-40 -95.79 177.0 5.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 4.6 t -134.57 124.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -107.6 137.86 44.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' N ' HD13 ' A' ' 68' ' ' LEU . 20.1 m120 -90.04 137.96 31.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.21 116.54 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -90.53 38.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.96 -175.52 5.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.31 11.21 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 -171.98 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -171.3 171.91 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 12.0 mt-10 -142.25 120.04 11.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' CD1' ' A' ' 57' ' ' TYR . 18.6 mt -118.68 178.92 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -93.66 154.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.485 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -60.65 139.62 92.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.37 83.81 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 79.27 155.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.77 137.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.23 176.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -132.93 121.54 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 0.9 OUTLIER -98.3 99.82 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -99.61 138.3 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -133.8 122.68 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.503 HG21 ' CE3' ' A' ' 38' ' ' TRP . 97.0 t -95.71 123.93 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -118.65 141.27 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -98.96 112.79 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -99.15 157.4 16.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.4 p -138.6 -172.11 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -22.99 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -36.62 13.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.09 -160.16 29.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -173.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.62 -127.02 1.87 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 m -106.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' OE1' ' A' ' 88' ' ' GLU . 4.3 p -103.33 141.12 36.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 94.2 p -79.76 177.03 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 8.7 pt-20 -59.8 119.1 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -45.75 136.89 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.667 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -89.62 149.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -118.79 101.61 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG12 ' CE3' ' A' ' 27' ' ' TRP . 75.1 mt -110.05 101.64 48.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -45.76 136.74 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 pp -58.85 116.86 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -41.18 -47.04 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 110' ' ' THR . 0.7 OUTLIER 85.6 -56.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.029 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 162.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.87 76.37 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.8 t -73.05 97.84 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.68 105.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 65.33 120.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.95 167.49 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.55 -111.15 2.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -133.95 100.53 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.776 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -145.99 165.59 28.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.04 117.46 5.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -117.9 171.11 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' N ' ' OG1' ' A' ' 8' ' ' THR . 7.3 m -103.05 134.99 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -161.99 166.8 25.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -120.95 172.96 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 t -156.84 133.9 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.4 t -114.94 143.5 45.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.01 137.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.65 174.85 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -141.49 157.06 66.49 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.0 151.31 39.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.22 33.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -91.2 31.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -105.06 108.38 61.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.71 39.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 121.8 6.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.08 -172.18 35.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.74 26.12 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.724 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 43.2 t -66.8 91.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.1 m -106.33 158.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 47.7 p-90 -132.69 178.56 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -167.61 161.12 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.88 119.04 14.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -140.08 146.79 39.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' O ' ' CG2' ' A' ' 32' ' ' THR . 70.0 m-20 52.64 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 35.7 p -156.29 45.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 15.5 ttmm -150.92 163.56 38.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 51.1 t -118.81 104.44 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 28.0 mt -85.85 115.22 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 87' ' ' ILE . 43.6 mt -96.98 156.67 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.34 123.92 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.591 ' CH2' ' C ' ' A' ' 74' ' ' SER . 43.4 p90 -137.58 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -168.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.52 162.63 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t -124.23 114.05 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -98.02 112.01 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.51 137.73 55.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.496 ' O ' ' C ' ' A' ' 45' ' ' GLU . 2.8 ptt? -96.93 -166.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER 29.55 -142.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.2 28.58 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -71.83 179.28 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.85 132.29 46.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.41 162.11 13.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 53' ' ' TYR . 62.2 t -82.33 107.89 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 p -86.57 -5.77 59.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.12 -171.08 43.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 31.7 m-85 -144.17 157.14 44.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -119.4 118.6 31.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.546 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 37.8 t -91.63 120.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 23.8 m-85 -107.34 100.86 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' HD11 ' A' ' 77' ' ' LEU . 23.0 p90 -108.92 136.14 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -155.52 138.23 15.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.432 HG23 ' CB ' ' A' ' 83' ' ' GLU . 13.4 m -56.6 169.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -43.9 -28.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -159.3 97.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.5 170.59 8.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -77.47 -63.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.65 117.27 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 66' ' ' GLN . 9.6 p -61.59 151.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.409 ' N ' HG21 ' A' ' 65' ' ' VAL . 6.7 mm100 -103.14 167.86 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 9.7 t -127.08 137.77 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.546 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -116.48 133.95 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.29 132.27 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -155.75 128.57 7.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -94.94 49.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.92 179.74 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -97.56 11.54 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.591 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 27.4 m -135.01 179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.78 -179.89 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.2 mt-10 -148.91 116.24 6.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 57' ' ' TYR . 1.4 mm? -108.55 -178.42 3.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.57 154.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.86 146.3 76.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.4 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mp -76.86 -56.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -151.14 -81.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' CB ' HG23 ' A' ' 59' ' ' THR . 3.7 mt-10 -41.68 142.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . 32.3 m-20 -48.34 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.8 t80 -133.26 121.3 22.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -100.58 118.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.476 HG22 ' CD1' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -113.22 137.01 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.4 mt-10 -132.55 125.1 29.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.12 136.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -151.14 127.93 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.587 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -69.33 157.01 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.62 148.46 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.1 p -130.21 -174.52 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -21.67 66.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.47 -40.22 13.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.99 -145.35 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 1.1 p-10 -91.17 -177.44 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.35 -138.84 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.4 m -97.39 151.91 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 7.9 m -101.0 128.52 47.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.5 p -72.14 163.26 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 6.2 pt-20 -47.31 119.75 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.12 138.91 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.626 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.9 OUTLIER -86.96 161.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -131.38 99.44 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.2 mt -112.08 97.13 37.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.98 7.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.81 149.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.62 140.4 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.8 p -62.18 -179.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.2 110.49 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.3 p -75.5 118.2 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.81 100.09 0.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.34 30.25 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.6 m -138.35 110.53 7.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -103.19 119.58 39.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -94.21 169.66 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -162.86 141.98 8.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.65 -148.94 9.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.421 1.076 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 58.73 162.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.85 175.64 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.0 147.13 6.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.446 ' O ' ' CG2' ' A' ' 8' ' ' THR . 10.2 t -169.17 92.38 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.764 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 m -108.72 134.65 50.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 177.72 113.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 12' ' ' THR . 3.9 t -97.09 158.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 6.2 t -165.47 158.17 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.0 m -129.55 79.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -174.54 138.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.02 -174.46 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -145.92 155.21 51.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.4 Cg_endo -74.99 150.99 39.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.72 24.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 p -88.44 37.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -113.87 109.45 50.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.99 42.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.56 -175.86 40.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.99 30.12 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 66.9 t -69.01 91.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 16.1 m -109.12 170.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 63.9 p-90 -147.81 178.3 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -163.53 160.43 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.1 122.42 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.499 ' CG2' HD21 ' A' ' 35' ' ' LEU . 5.6 t -150.88 163.75 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' O ' ' CG2' ' A' ' 32' ' ' THR . 25.0 m-20 45.72 -93.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' THR . 37.2 p -156.59 43.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.31 167.86 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.39 112.19 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 HD21 ' CG2' ' A' ' 30' ' ' THR . 0.4 OUTLIER -89.18 127.18 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.444 ' CD1' HG21 ' A' ' 87' ' ' ILE . 37.4 mt -108.03 151.33 25.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -155.44 125.89 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.576 ' CD1' HG12 ' A' ' 89' ' ' VAL . 48.5 p90 -145.42 152.65 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 178.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -97.65 164.48 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.468 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 4.3 t -123.33 118.04 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -112.92 115.27 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.36 -177.66 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.477 ' CE ' ' HB3' ' A' ' 46' ' ' ASN . 6.9 ptm -101.39 -173.12 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -78.98 5.94 10.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' HB3' ' CE ' ' A' ' 44' ' ' MET . 16.4 t30 -129.79 25.08 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' O ' ' A' ' 17' ' ' PRO . 1.6 mt-10 -146.91 175.73 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -96.33 122.86 39.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.46 163.31 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.578 HG11 ' CE2' ' A' ' 53' ' ' TYR . 73.7 t -89.12 130.66 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.7 p -113.48 -7.72 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.53 -165.92 31.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' HG11 ' A' ' 50' ' ' VAL . 65.2 m-85 -154.3 165.08 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 69.9 mttt -127.76 120.77 28.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.555 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 38.1 t -92.98 101.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 67' ' ' VAL . 55.0 m-85 -89.14 100.42 13.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 19.8 p90 -109.11 136.12 49.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -158.23 132.46 8.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.2 m -59.88 167.09 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' SER . 2.1 t -59.96 96.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.9 OUTLIER 85.66 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.034 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -120.81 123.83 43.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.78 114.15 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 68.95 112.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p -79.05 163.28 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.7 mp0 -95.81 177.24 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 56' ' ' PHE . 54.2 t -141.47 145.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.31 120.47 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.82 124.67 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -142.33 131.69 23.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.5 -7.43 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 173.19 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -89.36 13.52 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -133.27 -176.62 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.71 167.66 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -140.13 116.84 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.6 mm? -108.95 -178.27 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.36 154.22 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' A' ' 81' ' ' ILE . 3.0 pp -47.28 144.76 4.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.91 22.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.435 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 14.3 mm -109.66 86.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 64.89 156.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 82' ' ' LYS . 1.3 mt-10 60.91 140.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 m-20 -59.46 167.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -118.22 121.44 40.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -98.73 101.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -100.34 145.65 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -140.06 122.69 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 38' ' ' TRP . 46.6 t -93.49 134.28 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.4 mtmt -136.76 147.24 46.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.57 ' HB1' ' CE1' ' A' ' 53' ' ' TYR . . . -103.58 131.44 50.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' CA ' ' A' ' 53' ' ' TYR . 2.6 p -97.98 148.16 23.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.6 p -138.21 -173.1 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -16.08 62.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.44 -34.81 6.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.3 -129.06 2.27 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 178.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.22 -128.75 3.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -99.72 146.81 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.382 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.402 ' OG ' ' CE ' ' A' ' 90' ' ' LYS . 1.2 m -98.37 114.23 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.7 p -52.03 171.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 125.1 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.452 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 30.2 mt-30 -47.88 134.07 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.638 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.3 OUTLIER -91.63 135.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -107.32 100.02 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 27' ' ' TRP . 20.6 mt -113.92 103.92 55.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.18 37.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 146.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 p -80.49 -55.54 4.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.34 170.39 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.4 p -39.68 148.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 178.84 90.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -169.8 139.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -76.71 161.49 28.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.78 113.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.41 149.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.46 -173.47 36.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.63 123.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 179.89 169.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.02 -176.34 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 m -142.97 135.41 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.58 162.83 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -104.24 145.22 30.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.5 p -105.17 168.12 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.9 p -126.51 176.66 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.2 t -94.76 70.6 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.96 118.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm 56.71 -174.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -150.67 155.08 35.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.15 40.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HG3' ' CB ' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.99 140.81 25.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -89.03 34.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.36 110.01 41.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.41 41.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.99 127.06 10.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.66 -172.74 36.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 t30 51.1 25.7 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 46.2 t -65.87 92.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' ASN . 21.4 m -108.91 154.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.8 p-90 -127.79 178.37 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -171.75 164.5 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.91 119.24 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -142.64 157.63 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' O ' ' CG2' ' A' ' 32' ' ' THR . 17.3 m-20 49.72 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 31' ' ' ASP . 35.9 p -156.63 43.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -152.03 178.35 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG13 ' CD2' ' A' ' 36' ' ' LEU . 40.3 t -122.33 108.3 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 34.1 mt -82.17 107.49 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' HD11 ' A' ' 77' ' ' LEU . 75.7 mt -97.1 149.52 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -152.88 143.6 22.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' CD1' HG11 ' A' ' 89' ' ' VAL . 48.3 p90 -160.31 151.36 19.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.035 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -176.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.62 161.46 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -123.84 117.46 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -108.32 129.83 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.462 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . . . -94.51 133.46 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -83.67 168.79 15.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.591 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 20.0 tt0 -37.5 139.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 6.4 t-20 90.56 -38.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 45' ' ' GLU . 19.1 mp0 -87.03 160.09 18.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.72 133.61 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -63.33 162.7 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.513 HG12 ' CZ ' ' A' ' 53' ' ' TYR . 72.2 t -89.07 120.02 37.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 p -103.4 -6.22 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.32 -169.3 38.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 91' ' ' ALA . 78.8 m-85 -149.15 164.24 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.977 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 27.4 mttt -122.2 117.16 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 35.5 t -90.23 109.52 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 44.1 m-85 -99.58 100.03 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 17.0 p90 -109.48 136.21 49.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -156.7 141.52 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 61' ' ' SER . 25.6 m -56.36 173.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.413 ' CB ' ' HB3' ' A' ' 83' ' ' GLU . 59.3 p -39.44 -31.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -133.2 -70.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.75 159.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.19 -73.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -125.91 120.14 29.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 HG22 ' C ' ' A' ' 57' ' ' TYR . 9.2 p -57.52 151.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt-30 -106.03 155.69 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 32.1 t -113.98 144.38 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.531 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -128.57 132.65 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.77 126.86 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.438 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -142.01 114.6 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.46 46.43 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -178.63 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.2 p -95.41 6.3 49.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 p -128.22 177.7 6.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -165.55 168.93 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.4 mt-10 -144.64 121.54 11.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 36' ' ' LEU . 5.6 mt -118.69 -178.22 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.76 154.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.08 148.38 92.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 155.15 43.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.63 -66.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' GLU . 10.7 mttt -141.07 -85.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -37.84 140.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -48.06 174.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.96 121.3 29.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -99.36 101.46 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 106' ' ' ILE . 1.1 mt -100.66 143.73 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -138.41 122.23 17.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.4 t -93.19 134.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 2.7 mttm -131.79 152.53 50.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -109.33 130.31 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.494 HG21 ' CA ' ' A' ' 53' ' ' TYR . 5.1 p -100.57 151.18 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.1 p -138.52 -170.42 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -17.52 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.37 7.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.171 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.4 -126.93 1.66 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.47 179.41 5.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.91 -132.66 3.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -104.32 153.39 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 28.6 p -101.38 126.81 48.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.409 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 86.8 p -67.25 168.18 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.63 126.36 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.462 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 25.5 mt-30 -51.27 140.16 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -93.11 160.73 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -132.23 103.58 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.497 HG12 ' CD2' ' A' ' 27' ' ' TRP . 13.1 mt -113.15 96.23 38.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.09 9.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -38.39 152.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.423 ' O ' HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -89.6 23.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -95.84 79.47 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.76 166.34 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.56 154.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 98.58 0.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -48.61 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -131.46 -59.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.41 109.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -178.37 82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -150.93 94.16 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.06 -172.43 12.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.84 157.98 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -101.84 161.54 13.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 -131.83 3.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m 63.18 163.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -122.11 161.97 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -151.4 167.58 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.5 t 63.41 126.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.91 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -136.4 154.16 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.44 159.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -99.42 -178.22 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -143.37 158.54 57.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.31 39.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.47 24.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m -89.15 34.45 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -117.67 109.37 41.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.79 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 124.98 9.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.12 -172.7 37.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t30 51.64 27.1 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 38.6 t -67.19 92.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 17.1 m -108.26 164.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 54.9 p-90 -140.87 178.28 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -168.99 162.35 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.59 119.91 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.72 145.83 38.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.47 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' O ' ' CG2' ' A' ' 32' ' ' THR . 35.5 m-20 52.74 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 30' ' ' THR . 35.5 p -155.48 44.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 177.21 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 49.0 t -131.91 103.55 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 46.8 mt -82.51 112.45 19.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 87' ' ' ILE . 25.7 mt -97.13 155.69 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -161.51 123.29 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.589 ' CD1' HG12 ' A' ' 89' ' ' VAL . 46.8 p90 -142.98 149.04 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -107.28 161.74 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.82 121.13 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -113.02 114.69 27.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.84 150.51 37.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -67.19 -174.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -80.44 5.54 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.76 25.49 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.05 -174.54 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -105.51 127.09 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -61.85 166.03 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 53' ' ' TYR . 49.8 t -94.24 120.16 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -96.26 -16.82 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -171.46 -160.1 19.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 91' ' ' ALA . 70.4 m-85 -157.16 161.94 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 70.1 mttt -122.01 116.97 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.513 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 32.3 t -89.29 103.0 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.7 m-85 -89.39 100.99 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' HD11 ' A' ' 77' ' ' LEU . 24.9 p90 -110.45 136.74 49.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.7 ptm180 -152.73 154.02 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' ' CD ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -76.59 165.8 24.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.83 -30.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -144.4 102.98 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -145.53 148.38 33.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 5.4 m-80 -96.24 104.93 16.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 5.3 m120 76.98 105.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 3.9 p -66.38 162.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' N ' HG21 ' A' ' 65' ' ' VAL . 7.8 mt-30 -95.84 177.61 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 23.1 t -138.82 140.84 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.513 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.38 123.12 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.37 115.2 18.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -131.31 138.14 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -107.51 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -165.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.32 2.5 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 p -124.42 -172.64 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.39 173.23 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 20.9 mt-10 -143.87 115.82 8.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 57' ' ' TYR . 1.1 mm? -110.0 -177.99 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.04 175.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.68 151.64 80.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.87 93.81 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 57.92 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' CD ' ' CG2' ' A' ' 59' ' ' THR . 2.3 pt-20 -38.74 141.75 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.25 171.22 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.1 t80 -129.41 121.83 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -100.11 103.77 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.48 HD13 ' CD1' ' A' ' 106' ' ' ILE . 0.7 OUTLIER -100.04 141.71 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -137.49 122.15 18.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.589 HG12 ' CD1' ' A' ' 38' ' ' TRP . 57.8 t -92.14 136.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 1.6 mtmt -136.85 144.69 43.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.576 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -97.97 140.22 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 HG21 ' CA ' ' A' ' 53' ' ' TYR . 52.4 p -107.18 144.16 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.1 p -138.5 -172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -20.01 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.18 -36.26 7.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -141.46 8.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.24 167.17 21.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.74 -126.27 3.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -99.75 147.73 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.8 m -98.62 115.93 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.6 p -55.55 162.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 4.7 pt-20 -50.98 121.83 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -47.98 135.75 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.646 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -88.12 156.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -127.53 102.2 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.3 mt -114.04 94.27 33.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.13 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -94.07 147.72 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 110' ' ' THR . 1.1 pp -111.02 172.6 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 109' ' ' ILE . 2.1 p -160.59 79.52 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.7 t -155.66 165.46 36.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -110.47 -56.2 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.93 113.09 4.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.9 15.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m -77.19 -61.32 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.04 79.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 65.4 145.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -148.68 166.95 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.23 112.7 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 p -168.24 105.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.947 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -162.6 89.88 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 81.79 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -125.52 128.92 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -83.97 119.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -144.4 151.63 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.72 155.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -134.33 113.79 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -80.29 103.28 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.64 152.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -114.2 -171.47 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.4 p -146.49 154.64 49.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 163.58 35.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.786 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.85 18.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m 59.12 15.68 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -102.26 112.07 65.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.68 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 138.12 22.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.3 -171.87 25.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 t30 48.39 24.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 104' ' ' ILE . 37.0 t -64.37 93.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' ASN . 26.2 m -106.1 166.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.672 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -143.9 178.33 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 8.3 m120 -167.83 162.94 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' CB ' HD12 ' A' ' 109' ' ' ILE . . . -138.13 110.3 7.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.496 ' CG2' HD21 ' A' ' 35' ' ' LEU . 2.8 t -152.6 163.39 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' C ' ' CG2' ' A' ' 32' ' ' THR . 0.0 OUTLIER 46.91 26.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 65.88 37.08 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.5 ttmm -143.24 159.93 41.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 53.4 t -112.57 113.6 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 HD21 ' CG2' ' A' ' 30' ' ' THR . 0.4 OUTLIER -97.34 112.86 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 77' ' ' LEU . 51.6 mt -97.22 146.32 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 10.9 m-80 -153.66 131.56 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 49.3 p90 -145.93 154.58 42.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -175.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.3 164.71 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.61 114.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -110.12 118.63 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 140.59 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -100.8 -161.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 44' ' ' MET . 1.1 tp10 30.4 -141.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.08 23.51 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.47 168.26 14.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -91.42 126.89 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -66.84 165.18 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.53 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 77.3 t -85.28 123.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -94.58 -14.35 25.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.9 -154.08 11.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 91' ' ' ALA . 78.5 m-85 -156.79 167.03 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' CD ' HG21 ' A' ' 92' ' ' THR . 43.4 mttt -135.85 117.87 15.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.501 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 39.3 t -90.26 113.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 36.5 m-85 -99.84 100.22 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.402 ' O ' HG21 ' A' ' 65' ' ' VAL . 21.2 p90 -109.61 135.91 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' NH2' HG13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -156.92 139.83 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.45 HG21 ' CB ' ' A' ' 83' ' ' GLU . 1.7 m -62.14 168.38 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -61.66 104.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.07 74.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.55 -152.96 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 4.2 t30 -138.1 91.75 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 m-20 76.22 114.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 57' ' ' TYR . 5.1 p -86.82 148.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.1 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 7.6 t -121.26 150.78 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.501 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.13 131.85 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.06 110.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -88.5 48.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.25 -179.63 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.97 7.49 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -131.07 176.5 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.41 178.01 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 52.8 mt-10 -150.02 122.66 8.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 36' ' ' LEU . 19.6 mt -118.65 -178.26 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -103.18 153.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.455 HD22 ' CA ' ' A' ' 32' ' ' THR . 4.2 pp -61.47 142.1 94.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 165.93 30.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.87 -64.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 159.88 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' CB ' HG21 ' A' ' 59' ' ' THR . 3.9 mt-10 61.72 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -53.2 169.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.56 122.01 38.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 103' ' ' GLN . 1.9 mm -100.27 112.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.83 137.73 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -132.85 127.52 34.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.6 t -107.25 141.58 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.647 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -154.14 127.94 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -68.03 153.63 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.456 HG21 ' CD ' ' A' ' 54' ' ' LYS . 82.8 p -112.07 140.28 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 96' ' ' GLY . 3.1 p -131.64 169.3 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.45 -16.83 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.99 -38.3 8.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 93' ' ' THR . . . 152.84 170.88 19.68 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -41.49 151.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.13 -132.19 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 6.4 m -101.69 154.42 18.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 6.6 p -100.81 110.09 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 9.2 p -52.98 178.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.95 121.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HB2' ' CG2' ' A' ' 86' ' ' ILE . 5.1 pt20 -48.53 137.02 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.672 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 1.1 mt -88.12 160.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -128.04 102.36 6.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.572 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.7 mt -119.22 97.92 50.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.5 138.03 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.402 HD12 ' CB ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -66.87 144.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 p -61.77 139.19 58.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 98.8 p -166.23 73.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -47.15 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 73.61 0.34 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -41.1 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.5 t 50.93 88.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.5 t -169.56 92.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -144.16 170.79 15.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.23 171.95 7.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.69 -148.87 18.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -172.57 170.54 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.72 171.83 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.68 -178.52 21.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -155.45 151.52 27.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.57 -176.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -156.06 -172.63 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.14 173.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -170.01 109.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -98.02 155.54 17.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 tptt 67.23 138.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -176.81 3.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -144.95 158.03 53.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.408 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.2 Cg_endo -75.02 151.05 38.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' HA ' ' CD ' ' A' ' 47' ' ' GLU . 18.5 Cg_endo -74.97 141.77 27.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.56 34.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -115.31 109.34 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.5 42.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.98 128.22 11.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.16 -179.77 34.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.63 24.44 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 21.4 t -66.23 92.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.2 m -110.21 154.72 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 65.0 p-90 -125.65 178.81 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.04 168.2 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.33 117.01 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.518 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.7 t -130.06 164.01 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.5 m-20 41.69 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' THR . 11.2 p -151.99 43.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.95 -178.3 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 24.1 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 HD23 ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.89 133.16 53.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 87' ' ' ILE . 25.5 mt -117.2 149.61 40.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.34 122.52 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.568 ' CD1' HG11 ' A' ' 89' ' ' VAL . 48.9 p90 -139.9 153.77 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -113.82 146.96 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 t -103.16 113.46 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -108.39 113.19 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.81 154.59 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.6 ptp -72.89 -170.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 pt-20 -85.08 19.9 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.2 t30 -142.19 30.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 17' ' ' PRO . 1.8 mt-10 -152.45 -174.42 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 m -103.92 132.06 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -68.01 161.41 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.574 HG11 ' CE1' ' A' ' 53' ' ' TYR . 77.9 t -90.59 126.83 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -108.9 -9.36 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -168.69 -166.77 28.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CE1' HG11 ' A' ' 50' ' ' VAL . 75.5 m-85 -157.63 164.88 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -124.49 117.5 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.517 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 26.5 t -90.54 99.56 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 22.1 m-85 -86.89 100.89 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 27.9 p90 -109.82 135.69 50.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.4 ptm180 -157.01 133.34 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.449 HG21 ' CB ' ' A' ' 83' ' ' GLU . 2.7 m -58.54 165.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -60.19 92.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.1 OUTLIER 78.3 90.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -125.04 -162.54 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -86.93 -79.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -129.54 120.3 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.4 p -57.64 151.63 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 40.0 mt-30 -100.48 169.91 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 t -126.62 137.49 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.517 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -122.16 127.64 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.69 129.51 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.402 ' CG2' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -146.95 114.45 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -89.95 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -150.68 -175.87 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -100.33 6.6 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.56 -179.0 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.25 172.02 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 67.6 mt-10 -148.85 120.04 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 77' ' ' LEU . 1.2 mm? -109.42 -178.13 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.94 -168.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 32' ' ' THR . 31.2 mt -96.22 142.87 25.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.38 14.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -69.87 -69.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.7 mttt -132.12 -91.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' CB ' HG21 ' A' ' 59' ' ' THR . 0.7 OUTLIER -37.16 141.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.3 t80 -130.67 121.44 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.555 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -100.1 109.72 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -106.42 145.25 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.6 mt-10 -139.01 122.19 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -91.96 127.96 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 7.3 mttm -126.12 152.06 46.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -106.45 147.62 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.443 HG21 ' CA ' ' A' ' 53' ' ' TYR . 14.1 p -122.03 143.85 49.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.0 p -138.05 -168.83 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -13.1 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.67 -22.93 22.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.46 -139.58 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.43 -176.85 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -137.12 -137.35 3.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.8 m -96.39 155.57 16.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 p -104.08 131.48 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 178.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.168 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 125.57 24.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 11.3 mt-30 -51.41 132.67 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -87.46 160.27 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -132.94 104.1 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CE3' ' A' ' 27' ' ' TRP . 5.8 mt -115.53 105.32 52.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -49.49 179.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.36 136.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.3 p -55.72 158.19 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -55.1 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m 40.17 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.88 -159.69 9.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.37 4.92 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.61 166.52 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.67 125.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -133.98 168.37 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -121.06 169.36 10.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.23 71.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -159.07 -166.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -140.75 107.57 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.55 -138.55 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -169.82 152.32 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.436 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.17 177.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -159.82 121.73 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.96 148.91 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 t -119.51 99.05 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -130.84 89.93 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.7 -175.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -118.05 -170.81 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -146.84 154.11 47.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.42 42.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.84 28.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -89.43 27.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -117.62 110.42 40.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 162.02 37.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -74.98 124.27 8.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.32 -173.31 41.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.13 30.38 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 22' ' ' PRO . 88.0 t -68.24 91.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 19.6 m -106.36 -176.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 51.9 p-90 -158.59 178.39 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.06 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -163.32 160.07 23.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.45 120.89 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.4 t -145.48 162.71 36.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' THR . 4.7 m-20 39.11 -93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.1 p -153.27 49.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 176.91 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 38.3 t -133.61 104.68 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' CD2' HG21 ' A' ' 30' ' ' THR . 0.5 OUTLIER -82.32 119.44 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 87' ' ' ILE . 35.6 mt -104.03 149.83 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 3.4 m-80 -154.67 128.69 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.585 ' CD1' HG13 ' A' ' 89' ' ' VAL . 47.8 p90 -147.11 150.73 35.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -177.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -104.93 163.33 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -120.81 123.35 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -113.4 117.43 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . -76.25 140.16 41.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -170.6 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 26.4 tt0 -45.71 129.71 9.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 8.4 t-20 85.19 -53.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 mt-10 -51.54 142.15 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -84.16 140.33 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -68.59 161.69 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.54 HG11 ' CE1' ' A' ' 53' ' ' TYR . 63.2 t -91.62 124.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.0 p -107.24 -9.99 15.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.38 -177.03 43.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 91' ' ' ALA . 69.1 m-85 -146.49 159.01 43.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -117.55 121.91 42.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.53 ' CG2' ' CD2' ' A' ' 68' ' ' LEU . 39.9 t -93.44 100.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 67' ' ' VAL . 66.1 m-85 -88.65 101.17 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 26.4 p90 -111.39 136.05 51.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -156.81 141.59 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -59.4 172.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -149.39 99.29 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.47 -165.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -96.88 -78.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -124.29 125.39 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.8 p -59.39 154.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.566 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 15.2 mt-30 -99.2 178.15 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG23 ' CE1' ' A' ' 56' ' ' PHE . 49.0 t -136.03 147.1 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' CD2' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.3 123.52 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 123.26 26.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 122.39 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -92.96 25.15 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -134.44 -175.37 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.03 7.44 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.2 p -129.56 -174.68 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.19 174.99 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 38.6 mt-10 -144.97 115.86 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 57' ' ' TYR . 1.6 mm? -108.71 -178.45 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.18 157.71 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -66.2 142.13 97.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 109' ' ' ILE . 18.3 Cg_endo -74.94 129.19 12.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.768 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mp -87.89 -61.53 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.5 150.23 51.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 65.47 142.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -53.86 175.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 57' ' ' TYR . 1.2 t80 -129.02 121.52 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.578 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -98.85 114.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.19 136.29 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -131.23 123.27 28.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.585 HG13 ' CD1' ' A' ' 38' ' ' TRP . 43.5 t -93.12 138.72 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -139.52 146.44 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.577 ' HB3' ' CE2' ' A' ' 53' ' ' TYR . . . -98.14 143.8 28.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 HG22 ' CA ' ' A' ' 53' ' ' TYR . 32.9 p -112.34 142.94 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.0 p -137.95 173.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.441 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -11.09 47.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.57 -36.37 5.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.14 -136.54 4.6 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.25 178.52 5.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.25 -141.02 5.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.7 m -98.66 148.41 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.4 p -95.71 123.54 39.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -69.01 162.14 27.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 4.8 pt-20 -47.93 120.03 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -49.34 137.67 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.597 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.5 OUTLIER -86.89 150.78 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -119.71 102.51 8.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 27' ' ' TRP . 15.0 mt -112.92 98.9 46.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.02 157.24 42.82 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 7.0 mtp180 -38.52 138.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.401 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 0.6 OUTLIER -72.9 163.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 t -115.8 -35.63 4.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.68 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.6 m 55.49 67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.66 99.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 89.62 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.43 1.752 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.65 128.73 51.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m 48.1 80.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.5 20.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.98 -36.86 2.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.787 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 82.59 -5.67 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.5 tt0 -86.42 118.25 70.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.97 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.93 126.36 9.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.0 -178.74 38.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.6 t30 54.54 26.65 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 104' ' ' ILE . 94.6 t -64.3 92.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 24' ' ' ASN . 28.5 m -106.7 159.93 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.9 p-90 -136.32 178.52 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -167.24 162.68 15.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.97 119.28 14.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -143.42 159.37 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' C ' HG23 ' A' ' 32' ' ' THR . 47.4 m-20 46.38 -94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' THR . 50.2 p -153.7 42.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HD2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -149.25 174.0 12.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -123.87 106.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.508 HD21 ' HD2' ' A' ' 33' ' ' LYS . 36.7 mt -82.36 108.45 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.929 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -96.84 149.16 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.87 139.62 18.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.55 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -155.93 152.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -179.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -104.0 160.68 14.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 18.8 t -122.44 122.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -115.0 120.13 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.855 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -86.8 131.52 34.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -71.02 162.65 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 60.3 t -90.63 117.81 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 -7.28 22.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.09 -177.79 47.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.1 m-85 -143.32 160.65 40.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 67' ' ' VAL . 9.8 mttt -114.87 116.85 29.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' HB ' HD22 ' A' ' 68' ' ' LEU . 23.5 t -89.52 101.1 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.9 m-85 -89.16 100.69 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 29.1 p90 -109.95 136.13 49.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -155.3 149.6 25.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 60' ' ' SER . 87.6 m -63.02 171.02 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 59' ' ' THR . 5.0 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.7 mt-30 -98.58 162.69 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 10.0 t -121.31 136.23 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.83 131.8 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -82.34 132.74 35.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.07 115.46 7.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -90.62 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -158.26 -177.69 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -94.26 5.85 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.3 p -126.16 178.36 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -166.77 170.46 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 mt-10 -143.94 116.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 36' ' ' LEU . 16.8 mt -111.59 -177.94 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -96.89 155.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -54.42 146.09 34.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 122.94 7.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 mp -91.97 84.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 156.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.56 136.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.13 168.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -124.13 121.68 35.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.708 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.1 mm -98.05 100.59 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.01 138.19 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -133.76 126.01 29.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -97.36 128.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -125.18 135.27 52.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -96.34 116.58 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -105.46 156.57 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.8 p -137.35 -171.45 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -13.48 58.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.06 -36.24 6.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.96 -160.48 29.41 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -179.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.76 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.91 -128.64 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m -105.79 153.47 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.413 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 8.0 p -101.91 124.52 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 p -59.38 -158.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.97 122.09 31.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.708 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.6 pt20 -44.61 135.25 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -91.97 144.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -114.13 104.15 11.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.583 HG12 ' CE3' ' A' ' 27' ' ' TRP . 47.7 mt -111.63 111.91 54.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.98 143.0 28.6 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.99 153.18 41.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.961 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.96 137.79 22.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.89 38.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.494 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.5 tt0 -116.18 111.02 42.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.78 43.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.01 123.11 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.93 -173.31 39.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.9 t30 51.8 28.93 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 104' ' ' ILE . 46.1 t -68.84 91.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' ASN . 18.4 m -108.9 160.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 53.9 p-90 -136.05 178.54 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 107.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -167.31 165.07 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.58 118.72 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.17 158.09 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 32' ' ' THR . 14.1 m-20 50.11 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 31' ' ' ASP . 34.7 p -156.87 42.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' CD ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.56 174.72 13.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.6 t -118.12 107.41 21.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 76' ' ' GLU . 18.8 mt -82.5 113.22 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.631 HD11 HG21 ' A' ' 87' ' ' ILE . 24.3 mt -96.97 155.27 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -162.69 123.17 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CD1' HG11 ' A' ' 89' ' ' VAL . 44.2 p90 -139.56 169.74 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -171.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.34 162.53 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 20' ' ' GLN . 15.0 t -120.37 117.7 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -107.14 119.37 39.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.961 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.6 m -84.42 134.74 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -65.7 162.04 19.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.1 t -90.79 122.54 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.3 p -96.62 -10.77 26.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.72 -164.32 32.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 91' ' ' ALA . 63.2 m-85 -150.0 164.19 36.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 78.7 mttt -125.15 117.31 23.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.685 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -88.88 99.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 64.7 m-85 -87.59 100.82 13.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 28.4 p90 -111.04 135.74 51.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 6.0 ptm180 -156.42 143.5 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 83' ' ' GLU . 34.0 m -61.41 170.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.413 ' H ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.4 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.542 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 2.1 mt-30 -98.41 175.18 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.1 t -136.9 133.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.685 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.73 128.53 54.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.3 133.92 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 t -153.53 123.76 7.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -92.52 21.96 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -128.28 -170.77 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -107.06 11.17 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 p -130.91 177.7 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.946 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.66 175.79 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' C ' HD22 ' A' ' 77' ' ' LEU . 47.1 mt-10 -148.09 116.91 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.43 -178.06 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.35 -171.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -99.66 132.8 22.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.04 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.409 HD12 ' H ' ' A' ' 81' ' ' ILE . 4.0 mp -66.19 -53.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.56 164.25 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 61.59 141.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.82 176.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -126.89 121.56 32.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.555 HG22 ' HB2' ' A' ' 103' ' ' GLN . 2.3 mm -99.85 102.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -101.24 141.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -136.07 122.71 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 38' ' ' TRP . 52.1 t -94.0 131.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -132.5 146.26 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.32 140.99 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 51.9 p -106.37 145.6 31.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.441 HG21 ' CD ' ' A' ' 18' ' ' PRO . 36.2 p -138.37 -175.49 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -22.36 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.91 -33.14 16.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.46 -131.31 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -174.88 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.43 -127.96 2.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -103.08 148.28 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.4 m -102.85 117.36 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.425 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.1 p -52.59 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 121.92 19.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.555 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.8 pt20 -47.42 135.79 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -87.55 152.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -121.99 101.94 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.0 mt -113.65 99.76 50.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -75.04 172.33 16.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.2 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.954 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 144.71 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.93 29.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 41' ' ' VAL . 2.9 tt0 -112.99 112.2 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.15 41.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.97 128.32 11.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.91 -175.19 29.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.8 OUTLIER 53.46 21.98 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 HD11 ' A' ' 104' ' ' ILE . 42.4 t -64.32 90.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ASN . 21.4 m -106.61 159.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.711 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.6 p-90 -132.05 178.54 6.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -169.17 162.42 10.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.54 119.06 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.72 144.66 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' C ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 52.44 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 79' ' ' LEU . 75.1 p -153.6 46.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 179.6 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 47.5 t -134.95 103.94 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 53.5 mt -82.61 108.41 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.984 HD11 HD12 ' A' ' 77' ' ' LEU . 86.6 mt -96.62 147.7 23.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.9 m-80 -149.63 143.75 25.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 25' ' ' VAL . 42.7 p90 -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -106.93 155.3 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 12.4 t -115.51 112.89 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -103.57 120.0 40.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.954 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 137.35 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -65.82 162.56 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.5 t -90.47 118.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.9 p -94.34 -16.55 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.17 -169.32 36.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.3 m-85 -145.48 173.83 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.746 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 43.4 mttt -128.41 124.13 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.645 ' HB ' HD22 ' A' ' 68' ' ' LEU . 41.7 t -95.79 96.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.1 m-85 -87.78 100.59 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 25.6 p90 -110.25 136.77 48.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -155.74 144.64 20.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 83' ' ' GLU . 85.5 m -58.16 168.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 60.6 mt-30 -96.11 178.03 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.71 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 20.0 t -141.14 138.44 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.645 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -125.57 128.9 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -77.29 139.6 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.05 117.75 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -89.91 18.15 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 -172.54 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -102.13 7.49 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.16 -171.09 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -173.1 171.39 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 35' ' ' LEU . 17.7 mt-10 -143.59 116.0 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 36' ' ' LEU . 14.3 mt -112.36 -178.3 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -96.18 153.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.0 pp -61.99 144.0 94.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.1 Cg_endo -75.02 129.08 11.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -77.57 -56.47 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' GLU . 4.8 mttt -145.65 163.87 33.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.6 mt-10 60.53 144.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -53.08 175.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.655 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.04 121.41 23.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.828 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -100.22 105.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -104.48 133.32 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -128.05 128.2 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG11 ' CG ' ' A' ' 38' ' ' TRP . 57.9 t -101.87 125.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 5.8 mttm -122.08 146.63 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -94.64 141.75 28.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 53' ' ' TYR . 30.7 p -114.48 148.29 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 49' ' ' GLU . 35.0 p -138.74 -168.88 2.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -12.16 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.51 -35.66 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.7 -136.35 4.68 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -172.56 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -140.33 -136.46 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m -93.36 153.74 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 5.1 p -105.81 128.23 53.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -70.33 165.91 21.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 123.7 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.828 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.6 pt20 -51.84 136.17 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.753 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -87.46 137.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -108.1 100.92 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.513 HG12 ' CE3' ' A' ' 27' ' ' TRP . 84.3 mt -112.18 97.78 40.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.5 Cg_endo -74.97 162.62 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 11.0 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.4 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -21.39 15.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.759 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 57.86 16.65 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -107.02 114.88 61.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.38 42.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 132.96 15.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.81 -173.42 31.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.1 t30 50.28 26.31 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG12 HD11 ' A' ' 104' ' ' ILE . 42.0 t -63.07 96.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 37' ' ' ASN . 34.4 m -106.51 149.95 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -131.94 178.92 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.1 m-20 -171.24 167.22 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -137.88 112.56 8.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.8 t -152.15 161.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 43.17 39.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 54.67 40.41 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -141.37 178.99 7.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 54.0 t -130.62 100.5 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 55.3 mt -83.01 106.14 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.645 ' CD1' HD12 ' A' ' 77' ' ' LEU . 86.4 mt -96.22 145.55 25.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -156.31 122.58 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CD1' HG11 ' A' ' 89' ' ' VAL . 45.8 p90 -134.15 171.43 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -173.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -108.8 155.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.85 119.65 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -117.55 124.22 48.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.815 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.815 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m -96.79 138.35 34.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.23 161.17 30.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 78.4 t -87.28 119.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -92.02 -12.54 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -179.33 -156.96 18.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.8 m-85 -155.96 166.54 33.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 47.2 mttt -126.8 116.81 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -89.58 100.08 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 43.9 m-85 -88.19 100.99 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 65' ' ' VAL . 29.2 p90 -110.76 136.41 49.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -155.79 147.28 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 60' ' ' SER . 52.4 m -65.66 172.43 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.514 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 57' ' ' TYR . 11.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.0 mt-30 -105.02 171.18 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.7 t -124.7 146.25 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.19 130.78 41.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.88 135.29 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.56 113.1 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -83.89 52.28 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 179.36 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 30.0 p -94.29 9.46 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -118.98 177.4 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -176.91 167.7 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.5 mt-10 -144.28 117.5 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 36' ' ' LEU . 2.5 mt -114.84 170.96 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -78.41 177.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -80.11 148.27 67.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.1 mp -87.19 84.1 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 152.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 64.07 140.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' HB3' ' A' ' 60' ' ' SER . 9.0 m-20 -52.94 178.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.48 121.7 21.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 86' ' ' ILE . 1.1 mm -100.11 106.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -103.42 142.21 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -136.41 123.27 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.56 HG11 ' CD1' ' A' ' 38' ' ' TRP . 55.3 t -93.73 130.13 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -126.08 152.07 46.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.19 123.68 50.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' CA ' ' A' ' 53' ' ' TYR . 16.5 p -93.34 152.2 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -138.22 -170.72 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -26.13 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.87 -37.75 15.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.71 -135.03 4.04 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -179.24 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.31 -131.69 3.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -102.44 155.2 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.4 m -106.45 124.79 50.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 6.4 p -55.67 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.63 124.09 26.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 86' ' ' ILE . 4.7 mt-30 -47.12 134.66 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -88.18 160.19 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -130.68 100.23 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.558 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.6 mt -114.71 102.41 54.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.89 30.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 15.5 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.0 160.81 39.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.77 18.96 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.474 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -104.97 113.97 64.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.51 42.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.1 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.47 -175.22 35.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 48.39 33.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.789 HG12 HD11 ' A' ' 104' ' ' ILE . 30.1 t -69.34 92.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 22.5 m -108.4 160.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.686 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.7 p-90 -134.24 178.64 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -167.2 162.29 15.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.98 120.75 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -138.65 145.29 40.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' C ' HG23 ' A' ' 32' ' ' THR . 73.9 m-20 50.8 -90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 79' ' ' LEU . 71.9 p -152.31 45.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 177.98 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 t -133.47 103.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.5 mt -82.55 108.7 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.808 HD11 HD12 ' A' ' 77' ' ' LEU . 77.6 mt -96.73 143.97 27.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -146.55 139.81 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.586 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 48.9 p90 -156.19 154.8 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 179.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -98.8 162.54 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.2 t -124.71 112.34 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -108.05 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -91.1 119.97 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -65.58 165.17 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' CG2' HG12 ' A' ' 41' ' ' VAL . 74.6 t -87.3 119.06 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -92.62 -12.74 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.26 -155.61 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 60.7 m-85 -156.4 159.6 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' HD3' HG11 ' A' ' 67' ' ' VAL . 57.3 mttt -123.05 127.82 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.717 ' HB ' HD22 ' A' ' 68' ' ' LEU . 33.1 t -99.72 104.71 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . 46.4 m-85 -91.73 101.15 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.6 p90 -108.79 135.51 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -159.25 136.27 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 170.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 11.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 14.5 mt-30 -99.91 167.96 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG11 ' HD3' ' A' ' 54' ' ' LYS . 53.0 t -123.46 148.63 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.717 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.14 128.6 32.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.59 130.77 37.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.05 111.61 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -89.43 45.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -179.91 8.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -92.96 6.99 45.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.17 -179.35 5.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.586 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -164.86 173.17 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.3 mt-10 -143.84 115.85 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 36' ' ' LEU . 8.7 mt -113.39 -179.36 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.42 156.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -71.91 140.07 83.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.97 157.49 42.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.99 -50.52 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -141.12 158.49 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.28 142.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.05 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -126.5 121.56 32.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -100.58 101.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.537 HD11 HD12 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -101.07 142.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -137.16 122.59 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 38' ' ' TRP . 51.9 t -93.73 132.09 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -130.53 150.64 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -106.26 129.48 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.48 HG23 ' CA ' ' A' ' 53' ' ' TYR . 32.4 p -94.18 152.33 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 49' ' ' GLU . 16.1 p -137.37 -173.48 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.11 -18.52 61.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.21 -31.61 7.92 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 93' ' ' THR . . . 153.04 -150.22 21.94 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.92 174.79 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.78 -121.7 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -111.9 148.63 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.446 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.1 m -96.27 133.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.483 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.2 p -69.96 -166.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 126.96 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' HG3' ' A' ' 88' ' ' GLU . 31.1 mt-30 -53.51 137.62 35.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.789 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.71 154.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.35 107.9 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.618 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 33.3 mt -121.09 98.01 47.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.82 34.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 148.9 35.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.08 140.64 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 34.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HG2' HG22 ' A' ' 41' ' ' VAL . 6.2 tt0 -113.74 110.24 49.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.61 42.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 129.51 12.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.89 -172.67 36.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 26' ' ' VAL . 10.6 t30 51.26 26.27 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 104' ' ' ILE . 44.7 t -66.48 91.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.4 m -107.08 169.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 58.6 p-90 -147.8 178.27 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -170.75 164.42 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.67 103.97 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.639 HG22 HD23 ' A' ' 35' ' ' LEU . 2.1 t -152.5 163.82 38.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.718 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 56.32 22.67 6.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.718 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER 66.82 37.09 4.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -151.9 173.45 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 78' ' ' VAL . 51.7 t -115.01 116.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.756 HD22 ' N ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.71 111.56 23.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 77' ' ' LEU . 45.5 mt -97.29 145.0 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.1 m120 -152.02 130.19 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.4 p90 -146.98 154.1 40.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -175.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 20' ' ' GLN . 2.9 t -109.92 112.73 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.13 112.45 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 123.45 36.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 93' ' ' THR . 2.8 pt-20 -54.52 163.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.798 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.7 t -89.49 116.88 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -97.05 -12.9 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.69 -171.29 37.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.798 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 80.3 m-85 -147.04 168.16 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 36.9 mttt -126.97 117.02 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.67 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.1 t -92.34 99.95 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' GLU . 45.9 m-85 -89.58 100.76 13.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 20.3 p90 -109.97 135.57 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.1 ptm180 -155.62 152.95 29.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 83' ' ' GLU . 86.4 m -65.75 169.12 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.1 mt-30 -99.88 168.11 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' A' ' 56' ' ' PHE . 40.6 t -125.85 146.83 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.93 122.39 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.59 130.3 37.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -145.99 130.31 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -98.26 3.89 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.51 165.52 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -81.91 6.96 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -175.34 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.76 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 17.6 mt-10 -142.05 118.36 10.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -116.48 -178.03 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.3 m -88.57 -175.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -94.47 148.39 34.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.22 -53.26 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 156.55 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HB3' HG22 ' A' ' 59' ' ' THR . 4.1 mt-10 62.8 138.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 m-20 -51.78 172.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.608 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -125.93 122.14 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.1 mp -101.85 104.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.458 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -101.36 146.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -138.43 122.72 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' CG ' ' A' ' 38' ' ' TRP . 98.9 t -93.83 127.93 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 3.1 mttm -124.82 154.08 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -108.7 135.2 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.513 HG23 ' CA ' ' A' ' 53' ' ' TYR . 24.1 p -105.91 148.51 27.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -138.3 -169.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.41 61.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.78 -37.33 10.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.52 -128.37 1.99 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -179.5 5.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -130.88 -132.85 3.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.6 m -100.26 155.04 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.427 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 21.8 p -107.35 117.08 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.7 p -52.75 -177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.7 125.34 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' CG ' HG23 ' A' ' 86' ' ' ILE . 19.2 mt-30 -47.27 137.23 8.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -92.41 161.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.41 112.71 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.631 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 8.7 mt -123.47 93.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.34 40.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 154.03 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.794 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.97 145.6 31.77 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.9 m -89.7 29.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -110.79 109.06 57.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.41 41.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 120.79 6.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.72 -171.78 36.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.0 t30 54.56 22.56 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 104' ' ' ILE . 24.1 t -65.82 90.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 24' ' ' ASN . 20.2 m -106.36 156.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.6 p-90 -127.26 178.19 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -167.14 162.34 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.71 122.75 19.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.32 144.35 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' C ' HG23 ' A' ' 32' ' ' THR . 47.8 m-20 51.98 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' THR . 31.9 p -154.75 45.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.02 177.98 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 55.4 t -132.0 103.64 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 41.9 mt -82.65 112.19 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 87' ' ' ILE . 32.7 mt -97.51 157.62 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -162.61 123.36 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.8 p90 -139.77 153.6 47.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 178.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -96.77 177.88 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG22 ' HG2' ' A' ' 20' ' ' GLN . 6.7 t -143.24 113.4 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -108.21 123.74 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.794 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -75.81 137.27 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.066 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -64.23 162.54 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.1 t -86.37 127.9 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -100.46 -18.98 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -173.74 -156.2 13.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.1 m-85 -156.95 149.82 23.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 92' ' ' THR . 62.4 mttt -111.89 118.86 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.757 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.9 t -91.0 104.54 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 21.7 m-85 -89.04 100.68 13.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 23.1 p90 -109.58 135.79 50.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.0 ptm180 -160.82 138.49 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.1 m -60.6 171.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.4 mt-30 -108.09 162.55 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.68 138.38 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.98 130.19 53.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.87 122.38 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.87 22.07 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -173.14 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.49 7.94 44.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -127.52 -173.32 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.61 172.72 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.575 ' C ' HD22 ' A' ' 77' ' ' LEU . 29.3 mt-10 -144.87 116.37 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.22 -178.24 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 m -92.26 162.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.8 134.95 81.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.85 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -79.39 -59.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.631 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.1 mt-10 61.45 143.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -59.3 162.7 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -114.75 121.24 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.2 mp -99.0 113.94 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.75 134.6 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 38' ' ' TRP . 78.4 t -102.66 149.53 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -161.89 130.17 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -68.32 154.86 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 54' ' ' LYS . 16.0 p -126.5 146.04 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 49' ' ' GLU . 26.7 p -133.31 175.56 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -10.89 58.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.41 -37.99 6.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.78 -149.52 16.37 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.38 175.74 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -137.92 5.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.7 m -99.39 154.05 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -100.59 110.39 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.452 ' OG ' HG21 ' A' ' 25' ' ' VAL . 92.1 p -57.65 170.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.5 122.1 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 86' ' ' ILE . 1.9 pt20 -55.92 139.83 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -87.48 161.29 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -133.89 97.25 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 27' ' ' TRP . 5.7 mt -109.65 100.47 42.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.67 30.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 18.4 Cg_endo -74.91 141.41 26.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 37.86 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.607 ' O ' HG21 ' A' ' 41' ' ' VAL . 6.6 mt-30 -106.89 107.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 151.07 38.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.98 128.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.6 -169.97 34.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 47.98 28.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 104' ' ' ILE . 22.8 t -69.17 89.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 37' ' ' ASN . 18.3 m -106.34 163.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.3 p-90 -134.79 177.3 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 3.9 m120 -169.85 168.02 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.18 116.13 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -151.84 150.67 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' THR . 1.6 m-20 39.47 63.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER 36.04 53.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 176.85 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 55.6 t -132.88 101.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.508 HD23 ' HG2' ' A' ' 76' ' ' GLU . 58.3 mt -82.01 111.65 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 87' ' ' ILE . 34.8 mt -97.29 156.45 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' HB2' HG22 ' A' ' 26' ' ' VAL . 2.2 m120 -160.16 131.02 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.652 ' CG ' HG11 ' A' ' 89' ' ' VAL . 46.4 p90 -149.61 148.11 28.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 174.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -92.33 163.82 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.2 t -120.23 113.31 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.49 112.39 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 4.4 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -85.46 123.13 30.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -57.54 162.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.3 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.825 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.8 t -86.74 120.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -99.61 -14.1 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.24 -163.68 24.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.825 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 73.0 m-85 -154.87 160.01 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HD3' HG11 ' A' ' 67' ' ' VAL . 19.7 mttm -118.37 117.39 28.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.732 ' HB ' HD22 ' A' ' 68' ' ' LEU . 42.0 t -91.84 99.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 47.5 m-85 -89.91 100.44 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 21.2 p90 -109.68 136.41 49.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -156.08 145.06 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' SER . 24.7 m -63.51 170.35 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 mt-30 -107.59 157.41 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG11 ' HD3' ' A' ' 54' ' ' LYS . 30.4 t -113.09 149.32 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.732 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.75 129.29 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.47 120.56 26.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -134.41 119.1 18.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.5 41.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 -172.08 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -103.4 10.2 37.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.0 p -130.97 -178.59 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -167.66 170.66 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HG2' HD23 ' A' ' 35' ' ' LEU . 19.8 mt-10 -142.78 115.56 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -110.37 -177.64 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.18 155.64 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -62.98 144.6 97.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 127.83 11.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.802 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -81.02 -55.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 155.37 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.14 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -48.52 170.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.619 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -124.73 121.5 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.7 111.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.59 142.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -135.58 122.04 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 38' ' ' TRP . 61.3 t -93.07 130.15 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.2 mtmt -126.87 153.47 45.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.77 130.66 55.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 4.8 p -105.12 150.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 49' ' ' GLU . 23.9 p -138.76 -168.62 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -13.07 61.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.18 -34.81 5.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 151.58 -142.48 9.5 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -73.47 -170.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.7 -123.94 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.6 m -104.83 153.09 21.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.3 m -104.74 125.57 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.41 ' CB ' HG21 ' A' ' 25' ' ' VAL . 68.9 p -60.76 -175.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 124.63 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 12.0 mt-30 -49.96 133.2 22.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.818 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -87.27 160.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -132.03 101.4 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 27' ' ' TRP . 11.3 mt -114.13 97.5 45.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.2 Cg_endo -75.02 163.79 34.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.8 mpp_? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HA ' ' OG ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -75.03 166.96 28.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.04 -18.06 18.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 11.75 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -96.31 112.63 60.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.97 148.43 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.0 125.19 9.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.81 -170.29 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 48.62 25.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -64.87 92.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 24' ' ' ASN . 23.8 m -106.72 158.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.0 p-90 -133.95 177.33 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -167.83 164.46 14.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.12 116.96 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.548 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.42 156.89 45.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' C ' HG23 ' A' ' 32' ' ' THR . 8.2 m-20 49.08 -92.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 31' ' ' ASP . 36.2 p -156.09 43.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.434 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.2 172.18 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -117.32 108.1 23.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 30' ' ' THR . 17.5 mt -82.44 108.21 15.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 77' ' ' LEU . 78.1 mt -97.3 146.87 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.79 128.14 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CG ' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -141.31 164.09 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -172.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -110.68 159.31 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.2 t -125.23 118.49 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -111.83 120.34 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.724 ' OG ' HG21 ' A' ' 93' ' ' THR . 60.5 p -83.66 122.97 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.797 ' O ' HG22 ' A' ' 93' ' ' THR . 2.0 pt-20 -69.03 158.66 34.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.677 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.7 t -82.71 112.96 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.5 p -99.88 -10.62 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.76 -170.41 40.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.677 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 61.9 m-85 -147.07 158.16 43.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 87.3 mttt -121.03 117.47 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 34.9 t -87.9 110.57 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CE1' HG22 ' A' ' 67' ' ' VAL . 64.6 m-85 -98.25 100.92 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.7 p90 -110.28 136.43 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -156.74 138.68 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.21 168.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 57' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.0 mt-30 -100.85 176.86 5.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 56' ' ' PHE . 47.8 t -135.17 146.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.87 128.75 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -76.72 135.61 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.43 116.58 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.21 24.62 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.9 174.31 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.08 10.87 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.5 -173.88 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.475 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -172.71 171.6 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' HD22 ' A' ' 35' ' ' LEU . 35.9 mt-10 -145.28 116.01 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 36' ' ' LEU . 5.7 mt -114.66 -178.24 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.58 -173.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -102.92 137.69 19.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.28 11.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.09 -49.61 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -144.95 165.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.28 138.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 m-20 -54.43 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.63 123.59 35.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -101.9 102.15 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.45 142.49 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -137.57 125.71 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 38' ' ' TRP . 48.2 t -95.51 132.56 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.7 mtmt -133.39 146.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.511 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -96.87 145.62 25.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 61.8 p -109.47 150.0 28.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -138.58 -179.98 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -14.77 61.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.2 -34.61 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.06 -144.31 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 174.5 8.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.12 -131.04 4.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -107.03 151.88 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -95.9 128.05 42.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.455 ' CB ' HG21 ' A' ' 25' ' ' VAL . 32.9 p -59.91 -150.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.2 121.85 36.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 86' ' ' ILE . 29.3 mt-30 -46.24 134.51 8.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -92.09 153.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -123.26 105.59 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.562 HG12 ' CE3' ' A' ' 27' ' ' TRP . 6.2 mt -118.48 96.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.1 Cg_endo -75.0 162.47 37.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 8.0 mtp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 150.63 38.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.806 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.779 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.93 139.4 24.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 36.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.7 tt0 -116.42 109.14 44.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.74 42.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.5 Cg_endo -74.99 125.05 9.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 -176.09 35.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.5 t30 56.03 23.27 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG12 HD11 ' A' ' 104' ' ' ILE . 23.7 t -65.17 90.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ASN . 22.0 m -107.04 157.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 1.007 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 57.1 p-90 -132.03 178.34 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -168.98 163.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.7 120.39 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.94 146.45 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' C ' HG23 ' A' ' 32' ' ' THR . 18.6 m-20 51.09 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 48.3 p -153.97 43.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -148.67 163.0 38.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 43.2 t -118.45 102.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 30.3 mt -82.62 113.22 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 87' ' ' ILE . 42.6 mt -96.88 159.83 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 1.7 m120 -164.21 127.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -145.85 150.91 37.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -177.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -104.17 158.5 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.424 HG13 ' HG2' ' A' ' 20' ' ' GLN . 6.3 t -116.55 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.94 115.87 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -104.81 126.59 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.672 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.56 165.72 7.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.7 t -94.38 127.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 p -109.11 -10.04 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.99 -168.12 32.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 68.6 m-85 -155.22 161.35 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 67' ' ' VAL . 73.9 mttt -120.35 119.09 32.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.5 t -91.44 100.75 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 51.6 m-85 -86.8 101.6 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 26.1 p90 -110.34 136.21 49.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.7 ptm180 -156.32 144.69 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 83' ' ' GLU . 2.7 m -66.6 177.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.3 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 39.4 mt-30 -96.74 178.18 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.541 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.5 t -137.11 135.92 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.2 128.16 53.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -79.88 123.77 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.66 125.93 21.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -97.84 37.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -172.99 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -100.11 4.8 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 p -125.81 -175.7 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.57 173.98 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.573 ' C ' HD22 ' A' ' 77' ' ' LEU . 51.5 mt-10 -147.6 118.77 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.3 mm? -109.27 -177.98 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -97.65 153.22 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.35 137.73 88.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.2 mp -67.47 -63.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -141.29 162.73 34.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.4 mt-10 66.02 143.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.43 167.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.4 t80 -123.4 121.4 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 85' ' ' TYR . 1.2 mm -100.87 112.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.54 HG21 HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 140.82 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -135.47 121.84 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.9 t -90.88 136.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 1.5 mttm -133.92 146.72 50.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -102.69 135.31 44.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 53' ' ' TYR . 29.4 p -104.26 146.83 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 49' ' ' GLU . 6.8 p -138.24 -173.64 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -14.3 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.89 -34.98 5.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.11 -144.42 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 173.56 10.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.24 -128.59 3.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -97.96 151.37 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.367 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 4.3 p -102.07 112.87 25.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.411 ' CB ' HG21 ' A' ' 25' ' ' VAL . 83.6 p -49.52 177.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.84 122.84 17.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.0 pt20 -48.6 136.53 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -89.34 159.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -130.97 97.4 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 1.007 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 7.7 mt -111.48 99.24 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.28 27.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.07 156.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -12.54 21.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.436 ' C ' ' HG1' ' A' ' 99' ' ' THR . 4.6 m 54.58 18.96 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.8 mt-30 -89.16 113.11 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.57 ' HG3' HG12 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 135.03 18.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.76 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.38 -172.52 30.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 45.58 32.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.699 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -68.28 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 37' ' ' ASN . 27.6 m -106.62 175.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 69.4 p-90 -153.33 178.66 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -162.73 158.24 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.39 122.13 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' LEU . 1.5 t -150.88 160.65 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' C ' HG23 ' A' ' 32' ' ' THR . 32.5 m-20 44.63 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' THR . 41.1 p -155.81 44.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.49 161.37 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 31.6 t -117.24 107.99 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.566 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.0 OUTLIER -87.25 116.97 25.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 87' ' ' ILE . 35.4 mt -99.61 157.46 16.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -163.53 123.37 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 73' ' ' THR . 47.6 p90 -139.52 169.33 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -166.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -111.68 171.77 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG12 ' CG2' ' A' ' 50' ' ' VAL . 2.3 t -133.35 113.98 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -102.72 111.24 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -88.45 117.64 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 pt-20 -59.28 160.34 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.536 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.2 t -82.51 121.6 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 p -101.0 -8.04 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -175.02 -159.29 20.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.89 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 47.8 m-85 -157.41 160.63 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 67' ' ' VAL . 7.5 mttt -125.26 117.31 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.0 t -91.26 110.2 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CE ' ' A' ' 90' ' ' LYS . 26.6 m-85 -94.31 100.66 12.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 16.7 p90 -108.71 135.34 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.1 ptm180 -155.35 130.84 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 60' ' ' SER . 54.7 m -64.41 168.47 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.505 ' HG ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 13.3 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 44.9 mt-30 -102.63 177.18 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 54' ' ' LYS . 15.1 t -135.09 138.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.66 122.34 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.28 123.91 29.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 139.58 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.79 48.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.26 177.41 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -95.27 7.1 47.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.425 ' O ' ' CH2' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -126.98 -175.22 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.74 173.48 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.635 ' C ' HD22 ' A' ' 77' ' ' LEU . 50.4 mt-10 -144.07 117.22 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.635 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.1 mm? -109.4 -177.95 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.75 153.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -49.51 150.06 3.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.0 120.04 5.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -80.89 89.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 62.23 -96.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -38.29 141.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 60' ' ' SER . 3.5 m-20 -51.76 -177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.6 t80 -137.01 121.76 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.561 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mm -100.54 107.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -103.52 141.72 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.3 mt-10 -137.65 123.54 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.57 HG12 ' HG3' ' A' ' 22' ' ' PRO . 66.2 t -102.4 140.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.602 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.64 126.53 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.89 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -73.11 144.56 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -119.97 154.77 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -136.69 -178.93 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -30.61 71.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.68 -40.79 45.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.11 -177.36 38.34 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.79 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.8 -142.17 5.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.5 m -95.5 156.26 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 12.3 p -101.54 125.7 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.5 p -67.79 -174.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 121.92 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.561 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.9 pt20 -48.9 134.04 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.699 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -88.1 159.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -129.35 101.51 6.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 36.1 mt -115.79 101.93 54.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.29 33.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -74.98 152.11 40.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 149.34 36.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -91.16 28.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' HG21 ' A' ' 41' ' ' VAL . 2.3 mt-30 -103.6 109.79 62.65 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 152.41 40.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 123.93 8.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.778 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.56 -174.81 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.7 OUTLIER 56.14 19.41 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.823 HG12 HD11 ' A' ' 104' ' ' ILE . 29.3 t -61.95 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 24' ' ' ASN . 25.3 m -106.3 153.34 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.9 p-90 -128.86 178.48 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 17.6 m-20 -172.79 166.91 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -133.93 116.92 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -151.67 152.95 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' C ' HG23 ' A' ' 32' ' ' THR . 0.6 OUTLIER 43.6 43.27 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.573 ' HA ' HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER 52.86 40.1 30.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' THR . 14.9 ttmm -142.11 161.75 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 69.3 t -115.44 106.32 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 31.6 mt -89.22 111.83 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.818 HD11 HD12 ' A' ' 77' ' ' LEU . 65.4 mt -97.11 146.84 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -154.48 123.75 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 47.6 p90 -135.86 158.04 45.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -177.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -98.57 173.34 6.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.7 t -135.23 116.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -91.66 119.73 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.56 128.08 35.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 pt-20 -56.39 162.17 2.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.6 t -82.25 112.25 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -92.89 -3.44 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.66 -175.34 45.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.783 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 51.8 m-85 -140.67 163.06 33.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 92' ' ' THR . 26.1 mttt -121.82 117.32 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.666 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -89.25 113.54 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 51.2 m-85 -104.94 101.23 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' C ' HG23 ' A' ' 65' ' ' VAL . 15.3 p90 -109.01 135.99 49.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -153.63 140.03 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -56.51 166.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 8.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -96.46 178.16 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.5 t -137.02 151.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -138.24 126.96 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.53 135.54 39.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.86 123.9 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -97.21 20.74 10.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 170.66 13.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -87.07 14.92 6.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.8 m -139.49 178.1 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.46 178.46 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.8 mt-10 -148.45 118.5 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.818 HD12 HD11 ' A' ' 36' ' ' LEU . 12.4 mt -117.14 -177.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -99.44 153.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.6 pp -62.16 143.28 95.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.2 Cg_endo -75.03 134.52 17.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -79.98 -66.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.84 157.42 42.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.75 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.414 ' N ' ' HB3' ' A' ' 60' ' ' SER . 1.1 m-20 -49.18 174.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.555 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -128.89 120.79 26.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -99.29 112.97 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -108.8 143.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -137.79 132.72 33.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 38' ' ' TRP . 57.7 t -118.02 132.23 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -140.8 138.84 34.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.783 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -80.65 129.38 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 ' HG3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.09 141.4 48.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.396 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -121.42 -171.06 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -12.04 61.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.32 -35.13 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.71 -151.25 21.69 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -87.31 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 -131.24 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 2.4 m -105.18 143.13 33.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.759 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 3.6 m -92.63 132.19 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.438 ' CB ' HG21 ' A' ' 25' ' ' VAL . 52.9 p -67.86 177.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 122.89 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 36.8 mt-30 -48.28 136.09 12.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.823 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -86.68 161.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.41 98.96 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.0 mt -112.55 98.33 43.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.92 39.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 153.98 42.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -17.0 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m 59.32 17.25 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.771 ' O ' HG21 ' A' ' 41' ' ' VAL . 13.0 mt-30 -88.16 113.77 56.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.1 Cg_endo -75.03 147.46 33.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.01 131.07 13.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.48 -174.55 35.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 t30 48.24 29.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.738 HG12 HD11 ' A' ' 104' ' ' ILE . 58.8 t -66.53 93.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 37' ' ' ASN . 23.3 m -107.58 172.27 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.1 p-90 -147.07 178.34 8.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -167.14 162.53 15.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.86 119.04 14.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.66 145.35 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 49.68 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.543 ' HA ' HD23 ' A' ' 79' ' ' LEU . 26.7 p -151.23 45.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -144.41 -179.36 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.2 t -139.42 103.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' ' 76' ' ' GLU . 54.0 mt -82.76 109.38 16.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -97.02 145.76 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -148.08 142.85 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.641 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.2 p90 -159.11 147.4 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 176.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -100.75 157.46 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.6 t -114.76 114.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -98.6 114.54 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 121.62 26.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.1 pt-20 -63.02 164.74 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 97.6 t -93.13 119.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -101.42 -2.04 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . 179.02 -161.96 28.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.6 m-85 -156.9 160.56 39.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -116.49 116.53 27.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' CB ' HD23 ' A' ' 68' ' ' LEU . 43.1 t -89.42 111.03 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 49.1 m-85 -99.9 100.31 11.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 31.4 p90 -108.81 137.03 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.7 ptm180 -153.08 144.85 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -67.59 165.9 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 mm-40 -95.79 177.0 5.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 4.6 t -134.57 124.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.917 HD21 ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -107.6 137.86 44.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' HD12 ' A' ' 68' ' ' LEU . 20.1 m120 -90.04 137.96 31.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.21 116.54 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -90.53 38.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.96 -175.52 5.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -92.31 11.21 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 -171.98 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB1' HD21 ' A' ' 68' ' ' LEU . . . -171.3 171.91 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HD23 ' A' ' 35' ' ' LEU . 12.0 mt-10 -142.25 120.04 11.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 36' ' ' LEU . 18.6 mt -118.68 178.92 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -93.66 154.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -60.65 139.62 92.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.98 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.7 mp -92.37 83.81 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 79.27 155.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.77 137.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.23 176.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.93 121.54 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.634 HG22 ' HB2' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -98.3 99.82 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -99.61 138.3 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -133.8 122.68 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' A' ' 38' ' ' TRP . 97.0 t -95.71 123.93 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -118.65 141.27 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -98.96 112.79 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -99.15 157.4 16.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.4 p -138.6 -172.11 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -22.99 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -36.62 13.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.09 -160.16 29.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -173.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.62 -127.02 1.87 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 m -106.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' OE1' ' A' ' 88' ' ' GLU . 4.3 p -103.33 141.12 36.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.467 ' CB ' HG21 ' A' ' 25' ' ' VAL . 94.2 p -79.76 177.03 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.953 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 8.7 pt-20 -59.8 119.1 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.4 pt20 -45.75 136.89 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -89.62 149.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -118.79 101.61 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG12 ' CE3' ' A' ' 27' ' ' TRP . 75.1 mt -110.05 101.64 48.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.0 151.31 39.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 147.22 33.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -91.2 31.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.598 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.0 mt-30 -105.06 108.38 61.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.71 39.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 121.8 6.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.08 -172.18 35.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.74 26.12 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.724 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 104' ' ' ILE . 43.2 t -66.8 91.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' ASN . 22.1 m -106.33 158.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 47.7 p-90 -132.69 178.56 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -167.61 161.12 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.88 119.04 14.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -140.08 146.79 39.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 32' ' ' THR . 70.0 m-20 52.64 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.509 ' HB ' HD23 ' A' ' 79' ' ' LEU . 35.7 p -156.29 45.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 15.5 ttmm -150.92 163.56 38.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 51.1 t -118.81 104.44 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 28.0 mt -85.85 115.22 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 87' ' ' ILE . 43.6 mt -96.98 156.67 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -162.34 123.92 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.603 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 43.4 p90 -137.58 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -168.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.52 162.63 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.8 t -124.23 114.05 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -98.02 112.01 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -100.85 132.29 46.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.41 162.11 13.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 62.2 t -82.33 107.89 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 p -86.57 -5.77 59.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 50' ' ' VAL . . . 177.12 -171.08 43.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.874 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 31.7 m-85 -144.17 157.14 44.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HB3' HG13 ' A' ' 67' ' ' VAL . 13.8 mttt -119.4 118.6 31.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 68' ' ' LEU . 37.8 t -91.63 120.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 23.8 m-85 -107.34 100.86 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.562 ' O ' HG23 ' A' ' 65' ' ' VAL . 23.0 p90 -108.92 136.14 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -155.52 138.23 15.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 83' ' ' GLU . 13.4 m -56.6 169.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.6 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -103.14 167.86 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 9.7 t -127.08 137.77 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -116.48 133.95 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.29 132.27 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -155.75 128.57 7.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -94.94 49.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.92 179.74 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -97.56 11.54 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.591 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 27.4 m -135.01 179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.78 -179.89 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' C ' HD22 ' A' ' 77' ' ' LEU . 36.2 mt-10 -148.91 116.24 6.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.4 mm? -108.55 -178.42 3.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.57 154.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.4 pp -58.86 146.3 76.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.4 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -76.86 -56.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 81' ' ' ILE . 2.4 mttt -151.14 -81.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HB3' HG22 ' A' ' 59' ' ' THR . 3.7 mt-10 -41.68 142.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . 32.3 m-20 -48.34 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.651 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.8 t80 -133.26 121.3 22.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.3 mp -100.58 118.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -113.22 137.01 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.4 mt-10 -132.55 125.1 29.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.12 136.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -151.14 127.93 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -69.33 157.01 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.62 148.46 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 49' ' ' GLU . 33.1 p -130.21 -174.52 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -21.67 66.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.47 -40.22 13.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.99 -145.35 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 1.1 p-10 -91.17 -177.44 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.35 -138.84 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 10.4 m -97.39 151.91 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.491 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 7.9 m -101.0 128.52 47.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 25' ' ' VAL . 85.5 p -72.14 163.26 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 6.2 pt-20 -47.31 119.75 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.659 ' HB2' HG23 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -50.12 138.91 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -86.96 161.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -131.38 99.44 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.543 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 12.2 mt -112.08 97.13 37.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.98 7.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.4 Cg_endo -74.99 150.99 39.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.814 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.04 139.72 24.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 p -88.44 37.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -113.87 109.45 50.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.99 42.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.56 -175.86 40.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.99 30.12 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 104' ' ' ILE . 66.9 t -69.01 91.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 16.1 m -109.12 170.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 63.9 p-90 -147.81 178.3 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -163.53 160.43 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.1 122.42 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 t -150.88 163.75 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.504 ' C ' HG23 ' A' ' 32' ' ' THR . 25.0 m-20 45.72 -93.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.682 ' HB ' HD23 ' A' ' 79' ' ' LEU . 37.2 p -156.59 43.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.771 ' HD2' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -152.31 167.86 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.39 112.19 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD11 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -89.18 127.18 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 HG11 ' A' ' 55' ' ' VAL . 37.4 mt -108.03 151.33 25.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -155.44 125.89 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.5 p90 -145.42 152.65 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 178.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -97.65 164.48 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 4.3 t -123.33 118.04 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -112.92 115.27 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.814 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -96.33 122.86 39.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -61.46 163.31 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.575 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 73.7 t -89.12 130.66 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.7 p -113.48 -7.72 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.53 -165.92 31.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 65.2 m-85 -154.3 165.08 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 69.9 mttt -127.76 120.77 28.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.664 ' HB ' HD22 ' A' ' 68' ' ' LEU . 38.1 t -92.98 101.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 67' ' ' VAL . 55.0 m-85 -89.14 100.42 13.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 19.8 p90 -109.11 136.12 49.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -158.23 132.46 8.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.64 HG22 ' HB3' ' A' ' 83' ' ' GLU . 44.2 m -59.88 167.09 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' ASP . 2.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.7 mp0 -95.81 177.24 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 56' ' ' PHE . 54.2 t -141.47 145.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.31 120.47 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.82 124.67 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -142.33 131.69 23.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.5 -7.43 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 173.19 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -89.36 13.52 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -133.27 -176.62 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -165.71 167.66 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 35' ' ' LEU . 2.1 mp0 -140.13 116.84 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.95 -178.27 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.36 154.22 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 32' ' ' THR . 3.0 pp -47.28 144.76 4.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.91 22.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.678 HD11 ' CD1' ' A' ' 79' ' ' LEU . 14.3 mm -109.66 86.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 64.89 156.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.64 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.3 mt-10 60.91 140.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 m-20 -59.46 167.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.604 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -118.22 121.44 40.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.3 mp -98.73 101.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -100.34 145.65 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -140.06 122.69 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CG ' ' A' ' 38' ' ' TRP . 46.6 t -93.49 134.28 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.4 mtmt -136.76 147.24 46.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -103.58 131.44 50.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.479 HG23 ' CA ' ' A' ' 53' ' ' TYR . 2.6 p -97.98 148.16 23.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.6 p -138.21 -173.1 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -16.08 62.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.44 -34.81 6.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.3 -129.06 2.27 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 178.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.22 -128.75 3.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -99.72 146.81 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.382 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.2 m -98.37 114.23 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.7 p -52.03 171.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 125.1 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 30.2 mt-30 -47.88 134.07 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.742 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -91.63 135.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -107.32 100.02 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 27' ' ' TRP . 20.6 mt -113.92 103.92 55.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.18 37.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.15 40.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.988 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.99 140.81 25.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -89.03 34.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.36 110.01 41.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.41 41.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.99 127.06 10.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.66 -172.74 36.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.2 t30 51.1 25.7 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG22 ' HB2' ' A' ' 38' ' ' TRP . 46.2 t -65.87 92.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 37' ' ' ASN . 21.4 m -108.91 154.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.602 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.8 p-90 -127.79 178.37 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -171.75 164.5 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.91 119.24 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.5 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -142.64 157.63 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' C ' HG23 ' A' ' 32' ' ' THR . 17.3 m-20 49.72 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.654 ' HA ' HD23 ' A' ' 79' ' ' LEU . 35.9 p -156.63 43.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -152.03 178.35 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 40.3 t -122.33 108.3 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 30' ' ' THR . 34.1 mt -82.17 107.49 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 77' ' ' LEU . 75.7 mt -97.1 149.52 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -152.88 143.6 22.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.636 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.3 p90 -160.31 151.36 19.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.035 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -176.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.62 161.46 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -123.84 117.46 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -108.32 129.83 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.988 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 19.1 mp0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.72 133.61 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -63.33 162.7 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 72.2 t -89.07 120.02 37.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 p -103.4 -6.22 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.32 -169.3 38.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 78.8 m-85 -149.15 164.24 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.977 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 27.4 mttt -122.2 117.16 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.662 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -90.23 109.52 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 44.1 m-85 -99.58 100.03 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 17.0 p90 -109.48 136.21 49.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -156.7 141.52 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 60' ' ' SER . 25.6 m -56.36 173.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 59' ' ' THR . 59.3 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt-30 -106.03 155.69 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 32.1 t -113.98 144.38 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.662 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -128.57 132.65 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.77 126.86 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -142.01 114.6 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.46 46.43 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -178.63 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.2 p -95.41 6.3 49.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 p -128.22 177.7 6.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.55 168.93 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.4 mt-10 -144.64 121.54 11.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -118.69 -178.22 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.76 154.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 32' ' ' THR . 3.7 pp -63.08 148.38 92.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 155.15 43.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.63 -66.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' GLU . 10.7 mttt -141.07 -85.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -37.84 140.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -48.06 174.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.609 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.96 121.3 29.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.36 101.46 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -100.66 143.73 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -138.41 122.23 17.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG11 ' CG ' ' A' ' 38' ' ' TRP . 58.4 t -93.19 134.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 2.7 mttm -131.79 152.53 50.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -109.33 130.31 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.49 HG23 ' CA ' ' A' ' 53' ' ' TYR . 5.1 p -100.57 151.18 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.1 p -138.52 -170.42 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -17.52 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.37 7.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.171 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.4 -126.93 1.66 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.47 179.41 5.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.91 -132.66 3.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -104.32 153.39 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 28.6 p -101.38 126.81 48.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.409 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 86.8 p -67.25 168.18 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.63 126.36 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.463 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 25.5 mt-30 -51.27 140.16 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -93.11 160.73 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -132.23 103.58 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.498 HG12 ' CD2' ' A' ' 27' ' ' TRP . 13.1 mt -113.15 96.23 38.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.09 9.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.31 39.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.0 139.47 24.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m -89.15 34.45 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -117.67 109.37 41.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.79 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 124.98 9.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.12 -172.7 37.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' HG13 ' A' ' 26' ' ' VAL . 2.5 t30 51.64 27.1 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 104' ' ' ILE . 38.6 t -67.19 92.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 17.1 m -108.26 164.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 54.9 p-90 -140.87 178.28 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -168.99 162.35 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.59 119.91 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.72 145.83 38.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.47 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' C ' HG23 ' A' ' 32' ' ' THR . 35.5 m-20 52.74 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 31' ' ' ASP . 35.5 p -155.48 44.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 177.21 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 49.0 t -131.91 103.55 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 46.8 mt -82.51 112.45 19.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 HG21 ' A' ' 87' ' ' ILE . 25.7 mt -97.13 155.69 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -161.51 123.29 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CD1' HG11 ' A' ' 89' ' ' VAL . 46.8 p90 -142.98 149.04 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -107.28 161.74 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.82 121.13 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -113.02 114.69 27.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.754 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.9 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -105.51 127.09 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.763 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -61.85 166.03 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.887 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 49.8 t -94.24 120.16 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -96.26 -16.82 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -171.46 -160.1 19.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.887 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.4 m-85 -157.16 161.94 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 70.1 mttt -122.01 116.97 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 32.3 t -89.29 103.0 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.7 m-85 -89.39 100.99 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 24.9 p90 -110.45 136.74 49.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.7 ptm180 -152.73 154.02 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.488 HG21 ' OE2' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -76.59 165.8 24.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 3.9 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 65' ' ' VAL . 7.8 mt-30 -95.84 177.61 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 23.1 t -138.82 140.84 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.38 123.12 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.37 115.2 18.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.443 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -131.31 138.14 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -107.51 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -165.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -107.32 2.5 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 p -124.42 -172.64 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.39 173.23 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.576 ' C ' HD22 ' A' ' 77' ' ' LEU . 20.9 mt-10 -143.87 115.82 8.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.1 mm? -110.0 -177.99 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.04 175.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.68 151.64 80.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.87 93.81 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 57.92 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 59' ' ' THR . 2.3 pt-20 -38.74 141.75 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.25 171.22 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.646 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.1 t80 -129.41 121.83 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -100.11 103.77 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.591 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -100.04 141.71 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -137.49 122.15 18.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 38' ' ' TRP . 57.8 t -92.14 136.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 1.6 mtmt -136.85 144.69 43.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -97.97 140.22 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 53' ' ' TYR . 52.4 p -107.18 144.16 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 49' ' ' GLU . 5.1 p -138.5 -172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -20.01 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.18 -36.26 7.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -141.46 8.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.24 167.17 21.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.74 -126.27 3.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -99.75 147.73 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.8 m -98.62 115.93 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.6 p -55.55 162.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 4.7 pt-20 -50.98 121.83 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.604 ' HB2' HG22 ' A' ' 86' ' ' ILE . 1.9 pt20 -47.98 135.75 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.706 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -88.12 156.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -127.53 102.2 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.3 mt -114.04 94.27 33.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.13 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.4 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.0 163.58 35.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.786 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.04 -18.85 18.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m 59.12 15.68 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.2 tt0 -102.26 112.07 65.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.68 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CG ' HG12 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.03 138.12 22.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.3 -171.87 25.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.0 t30 48.39 24.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD11 ' A' ' 104' ' ' ILE . 37.0 t -64.37 93.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 24' ' ' ASN . 26.2 m -106.1 166.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.672 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -143.9 178.33 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 8.3 m120 -167.83 162.94 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.13 110.3 7.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 35' ' ' LEU . 2.8 t -152.6 163.39 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.727 ' C ' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER 46.91 26.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 65.88 37.08 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.5 ttmm -143.24 159.93 41.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 53.4 t -112.57 113.6 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -97.34 112.86 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.802 HD11 HD12 ' A' ' 77' ' ' LEU . 51.6 mt -97.22 146.32 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 10.9 m-80 -153.66 131.56 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . 49.3 p90 -145.93 154.58 42.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -175.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -101.3 164.71 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.4 t -127.61 114.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -110.12 118.63 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -91.42 126.89 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 93' ' ' THR . 3.2 pt-20 -66.84 165.18 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.739 ' CG1' ' HB1' ' A' ' 91' ' ' ALA . 77.3 t -85.28 123.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -94.58 -14.35 25.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.9 -154.08 11.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' HA ' HG23 ' A' ' 92' ' ' THR . 78.5 m-85 -156.79 167.03 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HB3' HG13 ' A' ' 67' ' ' VAL . 43.4 mttt -135.85 117.87 15.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.3 t -90.26 113.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 36.5 m-85 -99.84 100.22 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.674 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 p90 -109.61 135.91 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.516 HH12 HG21 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -156.92 139.83 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' CB ' ' A' ' 83' ' ' GLU . 1.7 m -62.14 168.38 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 57' ' ' TYR . 5.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.1 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 7.6 t -121.26 150.78 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.13 131.85 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.06 110.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -88.5 48.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.25 -179.63 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -95.97 7.49 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -131.07 176.5 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.41 178.01 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HG2' HD12 ' A' ' 35' ' ' LEU . 52.8 mt-10 -150.02 122.66 8.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.802 HD12 HD11 ' A' ' 36' ' ' LEU . 19.6 mt -118.65 -178.26 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -103.18 153.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD23 ' CA ' ' A' ' 32' ' ' THR . 4.2 pp -61.47 142.1 94.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 165.93 30.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.87 -64.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 159.88 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' CB ' HG22 ' A' ' 59' ' ' THR . 3.9 mt-10 61.72 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -53.2 169.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.488 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -121.56 122.01 38.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.9 mm -100.27 112.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -108.83 137.73 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -132.85 127.52 34.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG12 ' CG ' ' A' ' 22' ' ' PRO . 91.6 t -107.25 141.58 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.647 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -154.14 127.94 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.03 153.63 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 53' ' ' TYR . 82.8 p -112.07 140.28 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 49' ' ' GLU . 3.1 p -131.64 169.3 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.45 -16.83 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.99 -38.3 8.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 93' ' ' THR . . . 152.84 170.88 19.68 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -41.49 151.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.13 -132.19 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 6.4 m -101.69 154.42 18.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 p -100.81 110.09 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 9.2 p -52.98 178.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.95 121.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.636 ' HB2' HG22 ' A' ' 86' ' ' ILE . 5.1 pt20 -48.53 137.02 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.759 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -88.12 160.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -128.04 102.36 6.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.572 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.7 mt -119.22 97.92 50.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.05 38.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.835 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.97 141.77 27.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.56 34.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -115.31 109.34 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.5 42.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.98 128.22 11.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.16 -179.77 34.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 58.63 24.44 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 104' ' ' ILE . 21.4 t -66.23 92.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 24' ' ' ASN . 19.2 m -110.21 154.72 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 65.0 p-90 -125.65 178.81 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.04 168.2 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.33 117.01 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 1.019 HG22 HD21 ' A' ' 35' ' ' LEU . 5.7 t -130.06 164.01 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.5 m-20 41.69 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.874 ' HA ' HD11 ' A' ' 79' ' ' LEU . 11.2 p -151.99 43.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.95 -178.3 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 35' ' ' LEU . 24.1 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.89 133.16 53.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 35' ' ' LEU . 25.5 mt -117.2 149.61 40.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.34 122.52 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -139.9 153.77 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 28.3 pt20 -113.82 146.96 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 t -103.16 113.46 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -108.39 113.19 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' CD ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 m -103.92 132.06 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -68.01 161.41 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.868 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 77.9 t -90.59 126.83 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -108.9 -9.36 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -168.69 -166.77 28.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.868 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.5 m-85 -157.63 164.88 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -124.49 117.5 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HB ' HD22 ' A' ' 68' ' ' LEU . 26.5 t -90.54 99.56 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 22.1 m-85 -86.89 100.89 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 27.9 p90 -109.82 135.69 50.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.4 ptm180 -157.01 133.34 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' CB ' ' A' ' 83' ' ' GLU . 2.7 m -58.54 165.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 40.0 mt-30 -100.48 169.91 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 t -126.62 137.49 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -122.16 127.64 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.69 129.51 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -146.95 114.45 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -89.95 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -150.68 -175.87 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -100.33 6.6 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.56 -179.0 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.25 172.02 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.632 ' C ' HD22 ' A' ' 77' ' ' LEU . 67.6 mt-10 -148.85 120.04 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.2 mm? -109.42 -178.13 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.94 -168.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 32' ' ' THR . 31.2 mt -96.22 142.87 25.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.01 131.38 14.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -69.87 -69.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.7 mttt -132.12 -91.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -37.16 141.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.3 t80 -130.67 121.44 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.3 mp -100.1 109.72 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -106.42 145.25 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.6 mt-10 -139.01 122.19 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -91.96 127.96 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 7.3 mttm -126.12 152.06 46.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -106.45 147.62 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 53' ' ' TYR . 14.1 p -122.03 143.85 49.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.436 HG21 ' HD3' ' A' ' 18' ' ' PRO . 69.0 p -138.05 -168.83 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -13.1 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.67 -22.93 22.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 137.46 -139.58 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.43 -176.85 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -137.12 -137.35 3.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.8 m -96.39 155.57 16.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 12.5 p -104.08 131.48 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 178.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.168 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 125.57 24.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 11.3 mt-30 -51.41 132.67 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -87.46 160.27 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -132.94 104.1 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CE3' ' A' ' 27' ' ' TRP . 5.8 mt -115.53 105.32 52.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.42 42.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.58 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.04 142.84 28.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -89.43 27.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -117.62 110.42 40.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 162.02 37.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -74.98 124.27 8.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.32 -173.31 41.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.13 30.38 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 104' ' ' ILE . 88.0 t -68.24 91.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 19.6 m -106.36 -176.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CD1' HG21 ' A' ' 104' ' ' ILE . 51.9 p-90 -158.59 178.39 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.06 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -163.32 160.07 23.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.45 120.89 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.809 HG22 HD21 ' A' ' 35' ' ' LEU . 9.4 t -145.48 162.71 36.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.468 ' C ' HG23 ' A' ' 32' ' ' THR . 4.7 m-20 39.11 -93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.1 p -153.27 49.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 176.91 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 38.3 t -133.61 104.68 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -82.32 119.44 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.557 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 35.6 mt -104.03 149.83 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 36' ' ' LEU . 2.5 m120 -154.67 128.69 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.8 p90 -147.11 150.73 35.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -177.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -104.93 163.33 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -120.81 123.35 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -113.4 117.43 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.739 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -84.16 140.33 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.678 ' O ' HG22 ' A' ' 93' ' ' THR . 2.9 pt-20 -68.59 161.69 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.869 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 63.2 t -91.62 124.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.0 p -107.24 -9.99 15.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.38 -177.03 43.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.869 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.1 m-85 -146.49 159.01 43.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HD3' HG11 ' A' ' 67' ' ' VAL . 71.4 mttt -117.55 121.91 42.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.9 t -93.44 100.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG22 ' A' ' 67' ' ' VAL . 66.1 m-85 -88.65 101.17 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.596 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 26.4 p90 -111.39 136.05 51.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -156.81 141.59 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.8 m -59.4 172.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.8 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 15.2 mt-30 -99.2 178.15 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.678 HG22 ' CE1' ' A' ' 56' ' ' PHE . 49.0 t -136.03 147.1 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.3 123.52 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 123.26 26.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 122.39 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -92.96 25.15 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -134.44 -175.37 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.03 7.44 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.2 p -129.56 -174.68 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.19 174.99 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' C ' HD22 ' A' ' 77' ' ' LEU . 38.6 mt-10 -144.97 115.86 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.71 -178.45 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.18 157.71 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -66.2 142.13 97.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.94 129.19 12.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.768 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.6 mp -87.89 -61.53 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.5 150.23 51.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 65.47 142.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -53.86 175.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -129.02 121.52 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.726 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -98.85 114.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.468 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.19 136.29 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -131.23 123.27 28.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.592 HG11 ' CD1' ' A' ' 38' ' ' TRP . 43.5 t -93.12 138.72 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -139.52 146.44 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.14 143.8 28.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 53' ' ' TYR . 32.9 p -112.34 142.94 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -137.95 173.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -11.09 47.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.57 -36.37 5.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.14 -136.54 4.6 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.25 178.52 5.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.25 -141.02 5.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.7 m -98.66 148.41 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.4 p -95.71 123.54 39.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -69.01 162.14 27.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 4.8 pt-20 -47.93 120.03 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.726 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.3 pt20 -49.34 137.67 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -86.89 150.78 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -119.71 102.51 8.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 27' ' ' TRP . 15.0 mt -112.92 98.9 46.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.02 157.24 42.82 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 7.0 mtp180 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.6 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.5 164.78 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.2 -177.18 23.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.03 145.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -149.06 -61.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.49 143.92 8.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 m -156.19 130.71 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -46.26 165.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.34 173.96 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.85 171.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -108.8 158.55 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -151.47 142.99 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.36 164.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -70.18 -176.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 p -133.43 153.26 80.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.5 20.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.98 -36.86 2.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.787 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 82.59 -5.67 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.5 tt0 -86.42 118.25 70.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.97 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.93 126.36 9.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.0 -178.74 38.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.6 t30 54.54 26.65 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 104' ' ' ILE . 94.6 t -64.3 92.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 24' ' ' ASN . 28.5 m -106.7 159.93 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.9 p-90 -136.32 178.52 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -167.24 162.68 15.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.97 119.28 14.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -143.42 159.37 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' C ' HG23 ' A' ' 32' ' ' THR . 47.4 m-20 46.38 -94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' THR . 50.2 p -153.7 42.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HD2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -149.25 174.0 12.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -123.87 106.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.508 HD21 ' HD2' ' A' ' 33' ' ' LYS . 36.7 mt -82.36 108.45 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.929 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -96.84 149.16 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.87 139.62 18.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.55 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -155.93 152.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -179.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -104.0 160.68 14.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 18.8 t -122.44 122.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -115.0 120.13 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . -76.67 147.53 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.416 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -73.61 -170.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 10.5 tt0 -58.65 133.47 55.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 16.9 t-20 85.59 -46.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.855 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 1.8 mp0 -52.8 155.52 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -86.8 131.52 34.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -71.02 162.65 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 60.3 t -90.63 117.81 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 -7.28 22.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.09 -177.79 47.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.1 m-85 -143.32 160.65 40.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 67' ' ' VAL . 9.8 mttt -114.87 116.85 29.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' HB ' HD22 ' A' ' 68' ' ' LEU . 23.5 t -89.52 101.1 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.9 m-85 -89.16 100.69 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 29.1 p90 -109.95 136.13 49.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -155.3 149.6 25.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 60' ' ' SER . 87.6 m -63.02 171.02 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 59' ' ' THR . 5.0 p -44.05 -27.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.04 -81.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.98 149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.83 -60.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -125.77 114.61 18.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 p -61.99 150.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.7 mt-30 -98.58 162.69 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 10.0 t -121.31 136.23 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.83 131.8 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -82.34 132.74 35.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.07 115.46 7.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -90.62 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -158.26 -177.69 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -94.26 5.85 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.3 p -126.16 178.36 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -166.77 170.46 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 mt-10 -143.94 116.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 36' ' ' LEU . 16.8 mt -111.59 -177.94 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -96.89 155.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -54.42 146.09 34.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 122.94 7.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 mp -91.97 84.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 156.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.56 136.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.13 168.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -124.13 121.68 35.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.708 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.1 mm -98.05 100.59 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.01 138.19 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -133.76 126.01 29.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -97.36 128.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -125.18 135.27 52.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -96.34 116.58 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -105.46 156.57 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.8 p -137.35 -171.45 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -13.48 58.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.06 -36.24 6.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.96 -160.48 29.41 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -179.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.76 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.91 -128.64 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m -105.79 153.47 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.413 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 8.0 p -101.91 124.52 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 p -59.38 -158.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.97 122.09 31.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.708 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.6 pt20 -44.61 135.25 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -91.97 144.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -114.13 104.15 11.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.583 HG12 ' CE3' ' A' ' 27' ' ' TRP . 47.7 mt -111.63 111.91 54.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.98 143.0 28.6 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -50.46 -177.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.99 130.16 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.41 ' H ' HG23 ' A' ' 110' ' ' THR . 72.2 p -47.16 169.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -126.27 80.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -127.47 164.38 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.37 120.78 5.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.56 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 p 48.27 83.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.28 71.26 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -117.73 169.98 9.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -122.05 99.2 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.62 -170.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 m -121.47 82.89 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 0.744 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.56 81.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.95 -151.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -128.92 143.5 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -107.19 158.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -63.74 158.04 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.55 HG23 HG22 ' A' ' 12' ' ' THR . 12.6 m -131.89 -46.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.55 HG22 HG23 ' A' ' 11' ' ' VAL . 11.8 t -159.72 107.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.1 p -134.01 151.48 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.5 167.94 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -85.31 -170.52 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -142.92 155.68 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.99 153.18 41.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.961 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.96 137.79 22.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.89 38.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.494 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.5 tt0 -116.18 111.02 42.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.78 43.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.01 123.11 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.93 -173.31 39.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.9 t30 51.8 28.93 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 104' ' ' ILE . 46.1 t -68.84 91.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' ASN . 18.4 m -108.9 160.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 53.9 p-90 -136.05 178.54 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 107.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -167.31 165.07 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.58 118.72 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.17 158.09 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 32' ' ' THR . 14.1 m-20 50.11 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 31' ' ' ASP . 34.7 p -156.87 42.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' CD ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.56 174.72 13.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.6 t -118.12 107.41 21.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 76' ' ' GLU . 18.8 mt -82.5 113.22 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD11 HG21 ' A' ' 87' ' ' ILE . 24.3 mt -96.97 155.27 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -162.69 123.17 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CD1' HG11 ' A' ' 89' ' ' VAL . 44.2 p90 -139.56 169.74 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -171.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.34 162.53 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 20' ' ' GLN . 15.0 t -120.37 117.7 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -107.14 119.37 39.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.961 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -84.66 124.5 31.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -77.96 166.93 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 8.0 tt0 -37.55 134.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 16.8 t-20 90.91 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -92.7 147.84 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.6 m -84.42 134.74 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -65.7 162.04 19.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.1 t -90.79 122.54 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.3 p -96.62 -10.77 26.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.72 -164.32 32.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 91' ' ' ALA . 63.2 m-85 -150.0 164.19 36.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 78.7 mttt -125.15 117.31 23.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.685 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -88.88 99.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 64.7 m-85 -87.59 100.82 13.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 28.4 p90 -111.04 135.74 51.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 6.0 ptm180 -156.42 143.5 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 83' ' ' GLU . 34.0 m -61.41 170.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.413 ' H ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -55.52 -21.51 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -156.67 86.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -122.64 143.37 49.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.01 -66.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -135.56 158.4 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.4 p -90.81 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.542 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 2.1 mt-30 -98.41 175.18 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.1 t -136.9 133.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.685 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.73 128.53 54.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.3 133.92 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 t -153.53 123.76 7.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -92.52 21.96 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -128.28 -170.77 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -107.06 11.17 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 p -130.91 177.7 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.946 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.66 175.79 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' C ' HD22 ' A' ' 77' ' ' LEU . 47.1 mt-10 -148.09 116.91 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.43 -178.06 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.35 -171.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -99.66 132.8 22.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.04 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.409 HD12 ' H ' ' A' ' 81' ' ' ILE . 4.0 mp -66.19 -53.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.56 164.25 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 61.59 141.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.82 176.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -126.89 121.56 32.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.555 HG22 ' HB2' ' A' ' 103' ' ' GLN . 2.3 mm -99.85 102.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -101.24 141.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -136.07 122.71 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 38' ' ' TRP . 52.1 t -94.0 131.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -132.5 146.26 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.32 140.99 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 51.9 p -106.37 145.6 31.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.441 HG21 ' CD ' ' A' ' 18' ' ' PRO . 36.2 p -138.37 -175.49 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -22.36 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.91 -33.14 16.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.46 -131.31 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -174.88 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.43 -127.96 2.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -103.08 148.28 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.4 m -102.85 117.36 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.425 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.1 p -52.59 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 121.92 19.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.555 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.8 pt20 -47.42 135.79 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -87.55 152.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -121.99 101.94 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.0 mt -113.65 99.76 50.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -75.04 172.33 16.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -37.63 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -78.19 140.21 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 110' ' ' THR . 55.3 p -51.1 162.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.9 82.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.59 -56.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.24 86.81 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.33 4.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m 61.21 114.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.04 91.83 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -111.3 159.65 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.949 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.66 136.76 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.5 145.46 49.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.96 147.3 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m 56.08 168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.91 95.94 0.1 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -138.15 156.27 47.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.95 159.85 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -155.36 139.7 16.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.5 139.48 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.3 p -134.69 129.83 35.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m 48.34 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.01 171.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -75.59 -175.34 2.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -137.14 154.55 75.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.2 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.954 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 144.71 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.93 29.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 41' ' ' VAL . 2.9 tt0 -112.99 112.2 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.15 41.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.97 128.32 11.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.91 -175.19 29.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.8 OUTLIER 53.46 21.98 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 HD11 ' A' ' 104' ' ' ILE . 42.4 t -64.32 90.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ASN . 21.4 m -106.61 159.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.711 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.6 p-90 -132.05 178.54 6.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -169.17 162.42 10.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 109' ' ' ILE . . . -137.54 119.06 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.72 144.66 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' C ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 52.44 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 79' ' ' LEU . 75.1 p -153.6 46.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 179.6 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 47.5 t -134.95 103.94 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 53.5 mt -82.61 108.41 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.984 HD11 HD12 ' A' ' 77' ' ' LEU . 86.6 mt -96.62 147.7 23.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.9 m-80 -149.63 143.75 25.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 25' ' ' VAL . 42.7 p90 -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -106.93 155.3 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 12.4 t -115.51 112.89 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -103.57 120.0 40.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.954 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -89.81 135.28 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.7 ptp -88.52 178.52 6.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -37.47 137.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 4.4 t-20 87.01 -48.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -79.38 133.27 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 137.35 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -65.82 162.56 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.5 t -90.47 118.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.9 p -94.34 -16.55 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.17 -169.32 36.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.3 m-85 -145.48 173.83 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.746 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 43.4 mttt -128.41 124.13 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.645 ' HB ' HD22 ' A' ' 68' ' ' LEU . 41.7 t -95.79 96.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.1 m-85 -87.78 100.59 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 25.6 p90 -110.25 136.77 48.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -155.74 144.64 20.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 83' ' ' GLU . 85.5 m -58.16 168.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p -42.91 -29.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 85.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.509 ' HA ' ' NE2' ' A' ' 62' ' ' GLN . 3.1 tp60 -106.17 145.98 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.76 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -123.21 113.23 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.1 p -62.24 153.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 60.6 mt-30 -96.11 178.03 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.71 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 20.0 t -141.14 138.44 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.645 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -125.57 128.9 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -77.29 139.6 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.05 117.75 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -89.91 18.15 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 -172.54 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -102.13 7.49 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.16 -171.09 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -173.1 171.39 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 35' ' ' LEU . 17.7 mt-10 -143.59 116.0 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 36' ' ' LEU . 14.3 mt -112.36 -178.3 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -96.18 153.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.0 pp -61.99 144.0 94.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.1 Cg_endo -75.02 129.08 11.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -77.57 -56.47 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' GLU . 4.8 mttt -145.65 163.87 33.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.6 mt-10 60.53 144.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -53.08 175.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.655 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.04 121.41 23.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.828 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -100.22 105.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -104.48 133.32 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -128.05 128.2 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG11 ' CG ' ' A' ' 38' ' ' TRP . 57.9 t -101.87 125.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 5.8 mttm -122.08 146.63 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -94.64 141.75 28.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 53' ' ' TYR . 30.7 p -114.48 148.29 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 49' ' ' GLU . 35.0 p -138.74 -168.88 2.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -12.16 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.51 -35.66 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.7 -136.35 4.68 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -172.56 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -140.33 -136.46 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m -93.36 153.74 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 5.1 p -105.81 128.23 53.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -70.33 165.91 21.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 123.7 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.828 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.6 pt20 -51.84 136.17 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.753 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -87.46 137.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -108.1 100.92 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.513 HG12 ' CE3' ' A' ' 27' ' ' TRP . 84.3 mt -112.18 97.78 40.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.5 Cg_endo -74.97 162.62 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 11.0 mtp180 -38.52 141.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -76.06 139.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -53.8 174.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.51 86.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 p -113.05 83.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.81 -92.8 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.44 31.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 148.26 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.1 p -68.68 155.72 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.8 116.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.29 173.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.13 175.37 42.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -170.59 88.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.13 160.37 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.8 129.28 1.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -167.14 121.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.389 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.4 153.46 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -171.6 121.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 14' ' ' LYS . 4.1 p -168.1 68.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.945 HG23 HG22 ' A' ' 13' ' ' THR . 6.0 t -69.69 -36.79 76.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.945 HG22 HG23 ' A' ' 12' ' ' THR . 0.6 OUTLIER -171.01 58.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.415 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.782 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -178.58 133.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -96.54 -171.19 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.4 p -134.84 152.64 77.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -21.39 15.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.759 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 57.86 16.65 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -107.02 114.88 61.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.38 42.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 132.96 15.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.81 -173.42 31.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.1 t30 50.28 26.31 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG12 HD11 ' A' ' 104' ' ' ILE . 42.0 t -63.07 96.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 37' ' ' ASN . 34.4 m -106.51 149.95 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -131.94 178.92 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.1 m-20 -171.24 167.22 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -137.88 112.56 8.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.8 t -152.15 161.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 43.17 39.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 54.67 40.41 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -141.37 178.99 7.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 54.0 t -130.62 100.5 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 55.3 mt -83.01 106.14 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.645 ' CD1' HD12 ' A' ' 77' ' ' LEU . 86.4 mt -96.22 145.55 25.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -156.31 122.58 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CD1' HG11 ' A' ' 89' ' ' VAL . 45.8 p90 -134.15 171.43 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -173.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -108.8 155.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.85 119.65 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -117.55 124.22 48.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.815 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . -77.7 155.27 31.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.2 mtt -93.91 -171.1 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.566 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 17.9 tt0 -53.27 130.08 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 2.5 t-20 87.18 -45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.815 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 2.2 mp0 -57.76 160.34 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m -96.79 138.35 34.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.23 161.17 30.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 78.4 t -87.28 119.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -92.02 -12.54 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -179.33 -156.96 18.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.8 m-85 -155.96 166.54 33.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 47.2 mttt -126.8 116.81 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -89.58 100.08 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 43.9 m-85 -88.19 100.99 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 65' ' ' VAL . 29.2 p90 -110.76 136.41 49.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -155.79 147.28 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 60' ' ' SER . 52.4 m -65.66 172.43 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.514 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -61.06 -16.56 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -164.93 72.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.07 -172.47 2.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -82.9 -70.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -139.3 126.06 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 57' ' ' TYR . 11.5 p -59.28 149.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.0 mt-30 -105.02 171.18 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.7 t -124.7 146.25 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.19 130.78 41.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.88 135.29 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.56 113.1 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -83.89 52.28 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 179.36 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 30.0 p -94.29 9.46 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -118.98 177.4 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -176.91 167.7 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.5 mt-10 -144.28 117.5 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 36' ' ' LEU . 2.5 mt -114.84 170.96 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -78.41 177.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -80.11 148.27 67.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.1 mp -87.19 84.1 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 152.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 64.07 140.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' HB3' ' A' ' 60' ' ' SER . 9.0 m-20 -52.94 178.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.48 121.7 21.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 86' ' ' ILE . 1.1 mm -100.11 106.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -103.42 142.21 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -136.41 123.27 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.56 HG11 ' CD1' ' A' ' 38' ' ' TRP . 55.3 t -93.73 130.13 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -126.08 152.07 46.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.19 123.68 50.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' CA ' ' A' ' 53' ' ' TYR . 16.5 p -93.34 152.2 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -138.22 -170.72 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -26.13 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.87 -37.75 15.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.71 -135.03 4.04 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -179.24 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.31 -131.69 3.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -102.44 155.2 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.4 m -106.45 124.79 50.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 6.4 p -55.67 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.63 124.09 26.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 86' ' ' ILE . 4.7 mt-30 -47.12 134.66 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -88.18 160.19 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -130.68 100.23 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.558 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.6 mt -114.71 102.41 54.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.89 30.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -40.39 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -109.61 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.7 p 40.63 47.97 2.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -75.31 -73.08 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 p -45.6 114.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.83 98.53 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.38 7.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -155.68 81.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.4 m -108.03 -59.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p 64.48 164.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -155.81 106.84 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.0 179.9 16.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -161.89 169.01 22.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 0.761 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -166.58 -57.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.74 -159.87 17.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -154.23 134.67 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.21 173.88 10.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 60.25 167.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.01 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -104.41 173.61 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -66.6 140.3 57.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 67.88 161.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -71.99 -171.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 15.5 p -138.5 152.46 71.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.0 160.81 39.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.77 18.96 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.474 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -104.97 113.97 64.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.51 42.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.1 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.47 -175.22 35.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 48.39 33.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.789 HG12 HD11 ' A' ' 104' ' ' ILE . 30.1 t -69.34 92.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 22.5 m -108.4 160.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.686 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.7 p-90 -134.24 178.64 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -167.2 162.29 15.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.98 120.75 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -138.65 145.29 40.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' C ' HG23 ' A' ' 32' ' ' THR . 73.9 m-20 50.8 -90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 79' ' ' LEU . 71.9 p -152.31 45.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 177.98 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 t -133.47 103.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.5 mt -82.55 108.7 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.808 HD11 HD12 ' A' ' 77' ' ' LEU . 77.6 mt -96.73 143.97 27.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -146.55 139.81 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.586 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 48.9 p90 -156.19 154.8 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 179.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -98.8 162.54 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.2 t -124.71 112.34 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -108.05 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.37 142.34 50.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -97.82 -167.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER 32.13 -142.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -93.58 25.96 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -68.44 173.27 5.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -91.1 119.97 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -65.58 165.17 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' CG2' HG12 ' A' ' 41' ' ' VAL . 74.6 t -87.3 119.06 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -92.62 -12.74 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.26 -155.61 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 60.7 m-85 -156.4 159.6 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' HD3' HG11 ' A' ' 67' ' ' VAL . 57.3 mttt -123.05 127.82 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.717 ' HB ' HD22 ' A' ' 68' ' ' LEU . 33.1 t -99.72 104.71 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . 46.4 m-85 -91.73 101.15 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.6 p90 -108.79 135.51 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -159.25 136.27 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 170.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -17.01 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -148.69 76.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.87 142.17 47.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.54 -66.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -129.16 134.37 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 11.4 p -73.26 150.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 14.5 mt-30 -99.91 167.96 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG11 ' HD3' ' A' ' 54' ' ' LYS . 53.0 t -123.46 148.63 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.717 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.14 128.6 32.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.59 130.77 37.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.05 111.61 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -89.43 45.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -179.91 8.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -92.96 6.99 45.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.17 -179.35 5.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.586 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -164.86 173.17 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.3 mt-10 -143.84 115.85 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 36' ' ' LEU . 8.7 mt -113.39 -179.36 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.42 156.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -71.91 140.07 83.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.97 157.49 42.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.99 -50.52 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -141.12 158.49 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.28 142.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.05 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -126.5 121.56 32.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -100.58 101.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.537 HD11 HD12 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -101.07 142.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -137.16 122.59 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 38' ' ' TRP . 51.9 t -93.73 132.09 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -130.53 150.64 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -106.26 129.48 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.48 HG23 ' CA ' ' A' ' 53' ' ' TYR . 32.4 p -94.18 152.33 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 49' ' ' GLU . 16.1 p -137.37 -173.48 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.11 -18.52 61.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.21 -31.61 7.92 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 93' ' ' THR . . . 153.04 -150.22 21.94 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.92 174.79 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.78 -121.7 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -111.9 148.63 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.446 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.1 m -96.27 133.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.483 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.2 p -69.96 -166.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 126.96 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' HG3' ' A' ' 88' ' ' GLU . 31.1 mt-30 -53.51 137.62 35.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.789 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.71 154.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.35 107.9 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.618 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 33.3 mt -121.09 98.01 47.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.82 34.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -39.15 132.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -65.72 121.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.48 127.12 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.98 -47.3 11.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 t -160.03 105.35 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.78 150.68 22.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.2 m 66.83 131.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.37 -60.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.64 110.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.965 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 p -162.41 166.47 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.44 152.46 43.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -123.94 132.03 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 0.775 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.8 p -156.23 154.93 31.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.57 118.83 0.78 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -86.41 142.52 28.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.57 162.84 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 61.72 162.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.9 t 59.98 100.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 13' ' ' THR . 10.5 t -83.43 -48.41 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 12' ' ' THR . 8.9 m 58.7 84.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.421 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 169.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' THR . 1.3 mmtp -99.29 -177.4 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 p -151.35 155.36 34.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 148.9 35.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.08 140.64 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 34.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HG2' HG22 ' A' ' 41' ' ' VAL . 6.2 tt0 -113.74 110.24 49.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.61 42.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 129.51 12.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.89 -172.67 36.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 26' ' ' VAL . 10.6 t30 51.26 26.27 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 104' ' ' ILE . 44.7 t -66.48 91.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.4 m -107.08 169.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 58.6 p-90 -147.8 178.27 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -170.75 164.42 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.67 103.97 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.639 HG22 HD23 ' A' ' 35' ' ' LEU . 2.1 t -152.5 163.82 38.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 56.32 22.67 6.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.718 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER 66.82 37.09 4.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -151.9 173.45 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 78' ' ' VAL . 51.7 t -115.01 116.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.756 HD22 ' N ' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.71 111.56 23.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 77' ' ' LEU . 45.5 mt -97.29 145.0 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.1 m120 -152.02 130.19 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.4 p90 -146.98 154.1 40.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -175.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 20' ' ' GLN . 2.9 t -109.92 112.73 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.13 112.45 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -48.13 151.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -169.32 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 124.08 21.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 71.02 29.81 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -119.74 160.59 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 123.45 36.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 93' ' ' THR . 2.8 pt-20 -54.52 163.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.798 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.7 t -89.49 116.88 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -97.05 -12.9 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.69 -171.29 37.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.798 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 80.3 m-85 -147.04 168.16 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 36.9 mttt -126.97 117.02 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.67 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.1 t -92.34 99.95 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' GLU . 45.9 m-85 -89.58 100.76 13.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 20.3 p90 -109.97 135.57 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.1 ptm180 -155.62 152.95 29.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 83' ' ' GLU . 86.4 m -65.75 169.12 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -44.54 -34.45 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.03 -77.83 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.39 -160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.25 -52.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -135.43 119.34 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 p -67.66 151.28 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.1 mt-30 -99.88 168.11 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' A' ' 56' ' ' PHE . 40.6 t -125.85 146.83 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.93 122.39 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.59 130.3 37.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -145.99 130.31 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -98.26 3.89 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.51 165.52 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -81.91 6.96 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -175.34 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.76 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 17.6 mt-10 -142.05 118.36 10.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -116.48 -178.03 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.3 m -88.57 -175.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -94.47 148.39 34.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.22 -53.26 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 156.55 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HB3' HG22 ' A' ' 59' ' ' THR . 4.1 mt-10 62.8 138.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 m-20 -51.78 172.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.608 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -125.93 122.14 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.1 mp -101.85 104.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.458 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -101.36 146.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -138.43 122.72 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' CG ' ' A' ' 38' ' ' TRP . 98.9 t -93.83 127.93 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 3.1 mttm -124.82 154.08 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -108.7 135.2 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.513 HG23 ' CA ' ' A' ' 53' ' ' TYR . 24.1 p -105.91 148.51 27.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -138.3 -169.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.41 61.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.78 -37.33 10.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.52 -128.37 1.99 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -179.5 5.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -130.88 -132.85 3.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.6 m -100.26 155.04 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.427 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 21.8 p -107.35 117.08 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.7 p -52.75 -177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.7 125.34 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' CG ' HG23 ' A' ' 86' ' ' ILE . 19.2 mt-30 -47.27 137.23 8.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -92.41 161.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.41 112.71 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.631 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 8.7 mt -123.47 93.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.34 40.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -45.73 139.77 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 pp -107.79 168.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 109' ' ' ILE . 2.9 p -159.0 33.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 110' ' ' THR . 2.2 p 161.78 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -53.33 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.19 -175.54 40.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.1 p -118.4 146.73 44.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.34 88.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.26 169.82 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.72 164.99 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.78 176.01 21.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.9 160.15 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.67 172.54 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.06 -152.22 7.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.5 p -81.49 79.66 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.67 43.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.88 131.69 35.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 m -135.77 137.08 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 t -82.01 53.99 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -120.39 174.49 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 154.94 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.33 -171.59 3.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.49 155.57 63.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 154.03 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.794 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.97 145.6 31.77 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.9 m -89.7 29.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -110.79 109.06 57.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.41 41.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 120.79 6.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.72 -171.78 36.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.0 t30 54.56 22.56 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 104' ' ' ILE . 24.1 t -65.82 90.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 24' ' ' ASN . 20.2 m -106.36 156.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.6 p-90 -127.26 178.19 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -167.14 162.34 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.71 122.75 19.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.32 144.35 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' C ' HG23 ' A' ' 32' ' ' THR . 47.8 m-20 51.98 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' THR . 31.9 p -154.75 45.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.02 177.98 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 55.4 t -132.0 103.64 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 41.9 mt -82.65 112.19 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 87' ' ' ILE . 32.7 mt -97.51 157.62 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -162.61 123.36 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.8 p90 -139.77 153.6 47.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 178.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -96.77 177.88 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG22 ' HG2' ' A' ' 20' ' ' GLN . 6.7 t -143.24 113.4 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -108.21 123.74 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.794 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -90.97 138.35 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.49 177.48 5.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 1.4 tt0 -37.12 135.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 6.3 t30 88.62 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -85.16 134.68 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -75.81 137.27 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.066 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -64.23 162.54 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.1 t -86.37 127.9 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -100.46 -18.98 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -173.74 -156.2 13.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.1 m-85 -156.95 149.82 23.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 92' ' ' THR . 62.4 mttt -111.89 118.86 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.757 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.9 t -91.0 104.54 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 21.7 m-85 -89.04 100.68 13.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 23.1 p90 -109.58 135.79 50.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.0 ptm180 -160.82 138.49 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.1 m -60.6 171.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 t -65.08 -15.01 61.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.54 88.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.6 170.71 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.07 -76.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -124.54 133.06 53.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.1 p -66.2 157.75 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.4 mt-30 -108.09 162.55 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.68 138.38 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.98 130.19 53.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.87 122.38 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.87 22.07 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -173.14 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.49 7.94 44.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -127.52 -173.32 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.61 172.72 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.575 ' C ' HD22 ' A' ' 77' ' ' LEU . 29.3 mt-10 -144.87 116.37 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.22 -178.24 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 m -92.26 162.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.8 134.95 81.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.85 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -79.39 -59.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.631 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.1 mt-10 61.45 143.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -59.3 162.7 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -114.75 121.24 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.65 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.2 mp -99.0 113.94 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.75 134.6 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 38' ' ' TRP . 78.4 t -102.66 149.53 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -161.89 130.17 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -68.32 154.86 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 54' ' ' LYS . 16.0 p -126.5 146.04 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 49' ' ' GLU . 26.7 p -133.31 175.56 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -10.89 58.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.41 -37.99 6.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.78 -149.52 16.37 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.38 175.74 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -137.92 5.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.7 m -99.39 154.05 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -100.59 110.39 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.452 ' OG ' HG21 ' A' ' 25' ' ' VAL . 92.1 p -57.65 170.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.5 122.1 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 86' ' ' ILE . 1.9 pt20 -55.92 139.83 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -87.48 161.29 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -133.89 97.25 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 27' ' ' TRP . 5.7 mt -109.65 100.47 42.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -40.75 138.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.641 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.44 130.56 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 p -55.81 112.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.2 t -106.8 93.42 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.5 166.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.35 121.02 4.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.7 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.16 171.21 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.8 m -163.5 103.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 84.8 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -162.1 165.87 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 -93.39 0.7 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.165 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m 60.9 169.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -99.75 169.54 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.41 -159.03 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -95.96 156.34 16.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.61 145.11 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.78 155.43 39.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.89 54.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -61.39 173.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 13' ' ' THR . 12.8 t -132.28 56.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -139.77 153.56 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.67 176.21 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -143.83 159.13 54.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.67 30.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 18.4 Cg_endo -74.91 141.41 26.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 37.86 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.607 ' O ' HG21 ' A' ' 41' ' ' VAL . 6.6 mt-30 -106.89 107.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 151.07 38.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.98 128.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.6 -169.97 34.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 47.98 28.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 104' ' ' ILE . 22.8 t -69.17 89.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 37' ' ' ASN . 18.3 m -106.34 163.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.3 p-90 -134.79 177.3 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 3.9 m120 -169.85 168.02 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.18 116.13 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -151.84 150.67 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' THR . 1.6 m-20 39.47 63.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER 36.04 53.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 176.85 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 55.6 t -132.88 101.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.508 HD23 ' HG2' ' A' ' 76' ' ' GLU . 58.3 mt -82.01 111.65 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 87' ' ' ILE . 34.8 mt -97.29 156.45 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' HB2' HG22 ' A' ' 26' ' ' VAL . 2.2 m120 -160.16 131.02 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.652 ' CG ' HG11 ' A' ' 89' ' ' VAL . 46.4 p90 -149.61 148.11 28.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 174.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -92.33 163.82 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.2 t -120.23 113.31 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.49 112.39 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -41.04 152.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.433 ' N ' ' HB2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -84.74 -166.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.22 119.32 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 m120 60.48 46.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' N ' ' A' ' 44' ' ' MET . 4.4 mm-40 -122.07 161.8 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -85.46 123.13 30.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -57.54 162.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.3 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.825 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.8 t -86.74 120.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -99.61 -14.1 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.24 -163.68 24.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.825 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 73.0 m-85 -154.87 160.01 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HD3' HG11 ' A' ' 67' ' ' VAL . 19.7 mttm -118.37 117.39 28.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.732 ' HB ' HD22 ' A' ' 68' ' ' LEU . 42.0 t -91.84 99.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 47.5 m-85 -89.91 100.44 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 21.2 p90 -109.68 136.41 49.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -156.08 145.06 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' SER . 24.7 m -63.51 170.35 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p -50.29 -24.1 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.04 87.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -111.41 173.48 6.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -65.79 -64.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.5 131.07 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.0 p -62.71 152.65 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 mt-30 -107.59 157.41 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG11 ' HD3' ' A' ' 54' ' ' LYS . 30.4 t -113.09 149.32 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.732 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.75 129.29 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.47 120.56 26.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -134.41 119.1 18.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.5 41.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 -172.08 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -103.4 10.2 37.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.0 p -130.97 -178.59 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -167.66 170.66 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HG2' HD23 ' A' ' 35' ' ' LEU . 19.8 mt-10 -142.78 115.56 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -110.37 -177.64 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.18 155.64 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -62.98 144.6 97.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 127.83 11.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.802 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -81.02 -55.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 155.37 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.14 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -48.52 170.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.619 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -124.73 121.5 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.7 111.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.59 142.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -135.58 122.04 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 38' ' ' TRP . 61.3 t -93.07 130.15 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.2 mtmt -126.87 153.47 45.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.77 130.66 55.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 4.8 p -105.12 150.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 49' ' ' GLU . 23.9 p -138.76 -168.62 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -13.07 61.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.18 -34.81 5.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 151.58 -142.48 9.5 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -73.47 -170.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.7 -123.94 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.6 m -104.83 153.09 21.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.3 m -104.74 125.57 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.41 ' CB ' HG21 ' A' ' 25' ' ' VAL . 68.9 p -60.76 -175.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 124.63 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 12.0 mt-30 -49.96 133.2 22.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.818 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -87.27 160.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -132.03 101.4 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 27' ' ' TRP . 11.3 mt -114.13 97.5 45.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.2 Cg_endo -75.02 163.79 34.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.8 mpp_? -37.37 146.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -70.37 133.52 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.7 p -46.3 164.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -52.69 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.0 t -158.3 120.69 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.96 157.6 19.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.56 1.162 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 93.0 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.2 p 52.47 175.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.2 t -124.87 109.12 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.62 133.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.041 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.4 p 179.37 145.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.32 122.42 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -168.0 137.23 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.88 168.31 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.68 112.74 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -167.31 147.21 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.06 146.34 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -177.39 129.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 11' ' ' VAL . 3.7 p -122.09 109.78 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -114.96 152.11 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 m -130.68 82.22 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt 173.41 138.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -99.67 -175.14 2.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 p -135.92 159.27 71.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HA ' ' OG ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -75.03 166.96 28.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.04 -18.06 18.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 11.75 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -96.31 112.63 60.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.97 148.43 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.0 125.19 9.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.81 -170.29 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 48.62 25.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -64.87 92.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 24' ' ' ASN . 23.8 m -106.72 158.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.0 p-90 -133.95 177.33 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -167.83 164.46 14.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' CB ' HD11 ' A' ' 109' ' ' ILE . . . -137.12 116.96 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.548 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.42 156.89 45.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' C ' HG23 ' A' ' 32' ' ' THR . 8.2 m-20 49.08 -92.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 31' ' ' ASP . 36.2 p -156.09 43.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.434 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.2 172.18 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -117.32 108.1 23.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 30' ' ' THR . 17.5 mt -82.44 108.21 15.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 77' ' ' LEU . 78.1 mt -97.3 146.87 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.79 128.14 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CG ' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -141.31 164.09 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -172.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -110.68 159.31 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.2 t -125.23 118.49 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -111.83 120.34 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . . . -78.41 153.37 31.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mmm -62.06 -175.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.54 3.81 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 29.06 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.2 mm-40 -141.59 173.63 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.724 ' OG ' HG21 ' A' ' 93' ' ' THR . 60.5 p -83.66 122.97 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.797 ' O ' HG22 ' A' ' 93' ' ' THR . 2.0 pt-20 -69.03 158.66 34.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.677 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.7 t -82.71 112.96 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.5 p -99.88 -10.62 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.76 -170.41 40.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.677 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 61.9 m-85 -147.07 158.16 43.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 87.3 mttt -121.03 117.47 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 34.9 t -87.9 110.57 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CE1' HG22 ' A' ' 67' ' ' VAL . 64.6 m-85 -98.25 100.92 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.7 p90 -110.28 136.43 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -156.74 138.68 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.21 168.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -43.87 -38.23 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -141.51 79.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' HA ' ' NE2' ' A' ' 62' ' ' GLN . 5.0 tp60 -101.67 142.98 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -64.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -132.94 121.32 22.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 57' ' ' TYR . 8.2 p -62.01 153.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.0 mt-30 -100.85 176.86 5.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 56' ' ' PHE . 47.8 t -135.17 146.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.87 128.75 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -76.72 135.61 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.43 116.58 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.21 24.62 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.9 174.31 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.08 10.87 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.5 -173.88 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.475 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -172.71 171.6 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' HD22 ' A' ' 35' ' ' LEU . 35.9 mt-10 -145.28 116.01 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 36' ' ' LEU . 5.7 mt -114.66 -178.24 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.58 -173.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -102.92 137.69 19.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.28 11.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.09 -49.61 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -144.95 165.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.28 138.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 m-20 -54.43 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.63 123.59 35.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -101.9 102.15 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.45 142.49 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -137.57 125.71 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 38' ' ' TRP . 48.2 t -95.51 132.56 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.7 mtmt -133.39 146.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.511 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -96.87 145.62 25.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 61.8 p -109.47 150.0 28.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -138.58 -179.98 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -14.77 61.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.2 -34.61 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.06 -144.31 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 174.5 8.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.12 -131.04 4.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -107.03 151.88 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -95.9 128.05 42.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.455 ' CB ' HG21 ' A' ' 25' ' ' VAL . 32.9 p -59.91 -150.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.2 121.85 36.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 86' ' ' ILE . 29.3 mt-30 -46.24 134.51 8.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -92.09 153.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -123.26 105.59 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.562 HG12 ' CE3' ' A' ' 27' ' ' TRP . 6.2 mt -118.48 96.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.1 Cg_endo -75.0 162.47 37.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 8.0 mtp180 -37.83 136.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -67.08 144.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.9 p -69.02 -62.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.1 78.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -154.08 -51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.79 121.5 1.23 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 173.22 14.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 153.06 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -171.39 129.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.53 150.98 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.048 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -166.53 169.4 13.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.82 166.31 33.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 160.48 43.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 0.74 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -97.99 146.99 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.16 93.96 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -152.15 152.62 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -83.03 150.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.46 -55.71 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.55 145.69 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -125.71 175.68 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -140.07 115.46 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 57.76 163.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -117.26 -178.36 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -139.17 157.68 70.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 150.63 38.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.806 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.779 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.93 139.4 24.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 36.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.7 tt0 -116.42 109.14 44.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.74 42.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.5 Cg_endo -74.99 125.05 9.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 -176.09 35.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.5 t30 56.03 23.27 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG12 HD11 ' A' ' 104' ' ' ILE . 23.7 t -65.17 90.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ASN . 22.0 m -107.04 157.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 1.007 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 57.1 p-90 -132.03 178.34 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -168.98 163.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.7 120.39 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.94 146.45 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' C ' HG23 ' A' ' 32' ' ' THR . 18.6 m-20 51.09 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 48.3 p -153.97 43.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -148.67 163.0 38.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 43.2 t -118.45 102.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 30.3 mt -82.62 113.22 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 87' ' ' ILE . 42.6 mt -96.88 159.83 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 1.7 m120 -164.21 127.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -145.85 150.91 37.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -177.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -104.17 158.5 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.424 HG13 ' HG2' ' A' ' 20' ' ' GLN . 6.3 t -116.55 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.94 115.87 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -74.7 153.29 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -173.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.92 8.13 13.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -132.85 29.58 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 -145.33 -174.26 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -104.81 126.59 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.672 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.56 165.72 7.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.7 t -94.38 127.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 p -109.11 -10.04 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.99 -168.12 32.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 68.6 m-85 -155.22 161.35 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 67' ' ' VAL . 73.9 mttt -120.35 119.09 32.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.5 t -91.44 100.75 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 51.6 m-85 -86.8 101.6 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 26.1 p90 -110.34 136.21 49.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.7 ptm180 -156.32 144.69 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 83' ' ' GLU . 2.7 m -66.6 177.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -69.86 -7.22 38.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.64 97.5 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -156.69 -44.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 62' ' ' GLN . 9.1 t30 82.44 -66.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -76.04 102.92 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.3 p -86.55 153.18 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 39.4 mt-30 -96.74 178.18 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.541 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.5 t -137.11 135.92 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.2 128.16 53.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -79.88 123.77 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.66 125.93 21.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -97.84 37.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -172.99 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -100.11 4.8 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 p -125.81 -175.7 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.57 173.98 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' C ' HD22 ' A' ' 77' ' ' LEU . 51.5 mt-10 -147.6 118.77 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.3 mm? -109.27 -177.98 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -97.65 153.22 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.35 137.73 88.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.2 mp -67.47 -63.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -141.29 162.73 34.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.4 mt-10 66.02 143.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.43 167.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.4 t80 -123.4 121.4 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 85' ' ' TYR . 1.2 mm -100.87 112.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.54 HG21 HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 140.82 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -135.47 121.84 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.9 t -90.88 136.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 1.5 mttm -133.92 146.72 50.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -102.69 135.31 44.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 53' ' ' TYR . 29.4 p -104.26 146.83 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 49' ' ' GLU . 6.8 p -138.24 -173.64 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -14.3 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.89 -34.98 5.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.11 -144.42 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 173.56 10.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.24 -128.59 3.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -97.96 151.37 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.367 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 4.3 p -102.07 112.87 25.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.411 ' CB ' HG21 ' A' ' 25' ' ' VAL . 83.6 p -49.52 177.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.84 122.84 17.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.0 pt20 -48.6 136.53 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -89.34 159.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -130.97 97.4 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 1.007 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 7.7 mt -111.48 99.24 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.28 27.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -41.91 141.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.713 HG13 HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -107.1 135.86 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.713 HG23 HG13 ' A' ' 109' ' ' ILE . 70.7 p 41.15 -143.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.04 62.33 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.6 m -116.5 -63.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.91 -142.97 3.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' SER . 18.2 Cg_endo -74.99 -36.38 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 114' ' ' PRO . 12.5 t 57.81 111.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -160.02 112.95 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.73 122.82 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.26 153.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.53 69.45 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -120.03 153.76 35.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -175.06 150.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 169.59 30.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -169.85 135.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.95 137.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.34 155.83 49.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.78 127.02 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -152.02 122.68 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 13' ' ' THR . 17.3 m -120.15 60.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.1 177.66 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.79 -175.25 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 p -141.78 158.12 63.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.07 156.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -12.54 21.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.436 ' C ' ' HG1' ' A' ' 99' ' ' THR . 4.6 m 54.58 18.96 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.8 mt-30 -89.16 113.11 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.57 ' HG3' HG12 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 135.03 18.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.76 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.38 -172.52 30.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 45.58 32.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.699 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -68.28 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 37' ' ' ASN . 27.6 m -106.62 175.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 69.4 p-90 -153.33 178.66 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -162.73 158.24 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.39 122.13 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' LEU . 1.5 t -150.88 160.65 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' C ' HG23 ' A' ' 32' ' ' THR . 32.5 m-20 44.63 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' THR . 41.1 p -155.81 44.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.49 161.37 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 31.6 t -117.24 107.99 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.566 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.0 OUTLIER -87.25 116.97 25.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 87' ' ' ILE . 35.4 mt -99.61 157.46 16.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -163.53 123.37 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 73' ' ' THR . 47.6 p90 -139.52 169.33 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -166.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -111.68 171.77 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG12 ' CG2' ' A' ' 50' ' ' VAL . 2.3 t -133.35 113.98 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -102.72 111.24 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -50.35 163.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -170.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 1.2 tt0 -65.32 124.75 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 45' ' ' GLU . 14.3 m-20 72.4 34.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.92 158.22 39.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -88.45 117.64 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 pt-20 -59.28 160.34 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.536 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.2 t -82.51 121.6 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 p -101.0 -8.04 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -175.02 -159.29 20.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.89 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 47.8 m-85 -157.41 160.63 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 67' ' ' VAL . 7.5 mttt -125.26 117.31 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.0 t -91.26 110.2 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CE ' ' A' ' 90' ' ' LYS . 26.6 m-85 -94.31 100.66 12.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 16.7 p90 -108.71 135.34 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.1 ptm180 -155.35 130.84 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 60' ' ' SER . 54.7 m -64.41 168.47 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HG ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -60.61 103.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m 63.7 76.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 10.1 tm0? -101.96 -71.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' GLN . 2.2 m-20 161.17 -75.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -122.09 111.93 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 13.3 p -63.63 154.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 44.9 mt-30 -102.63 177.18 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 54' ' ' LYS . 15.1 t -135.09 138.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.66 122.34 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.28 123.91 29.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 139.58 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.79 48.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.26 177.41 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -95.27 7.1 47.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.425 ' O ' ' CH2' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -126.98 -175.22 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.74 173.48 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' C ' HD22 ' A' ' 77' ' ' LEU . 50.4 mt-10 -144.07 117.22 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.635 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.1 mm? -109.4 -177.95 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.75 153.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -49.51 150.06 3.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.0 120.04 5.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -80.89 89.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 62.23 -96.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -38.29 141.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 60' ' ' SER . 3.5 m-20 -51.76 -177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.6 t80 -137.01 121.76 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.561 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mm -100.54 107.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -103.52 141.72 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.3 mt-10 -137.65 123.54 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.57 HG12 ' HG3' ' A' ' 22' ' ' PRO . 66.2 t -102.4 140.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.602 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.64 126.53 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.89 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -73.11 144.56 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -119.97 154.77 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -136.69 -178.93 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -30.61 71.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.68 -40.79 45.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.11 -177.36 38.34 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.79 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.8 -142.17 5.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.5 m -95.5 156.26 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 12.3 p -101.54 125.7 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.5 p -67.79 -174.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 121.92 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.561 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.9 pt20 -48.9 134.04 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.699 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -88.1 159.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -129.35 101.51 6.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 36.1 mt -115.79 101.93 54.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.29 33.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 176.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.73 115.32 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.44 151.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 m -101.56 147.71 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.9 m -150.72 82.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -121.03 174.29 15.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.02 5.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -170.74 -58.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m 56.82 88.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.98 133.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.79 169.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.49 -114.9 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 6' ' ' SER . 7.5 m 65.78 127.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 162.84 159.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.27 175.64 47.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.9 m -121.12 131.53 54.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 10' ' ' ASN . 18.5 m -69.4 -51.48 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.505 ' N ' HG23 ' A' ' 9' ' ' VAL . 1.1 t-20 168.77 105.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.82 143.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p 43.77 -156.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.448 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.55 115.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -159.4 157.96 31.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -91.11 164.34 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -147.57 162.22 32.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -74.98 152.11 40.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 149.34 36.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -91.16 28.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' HG21 ' A' ' 41' ' ' VAL . 2.3 mt-30 -103.6 109.79 62.65 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 152.41 40.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 123.93 8.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.778 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.56 -174.81 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.7 OUTLIER 56.14 19.41 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.823 HG12 HD11 ' A' ' 104' ' ' ILE . 29.3 t -61.95 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 24' ' ' ASN . 25.3 m -106.3 153.34 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.9 p-90 -128.86 178.48 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 17.6 m-20 -172.79 166.91 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -133.93 116.92 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -151.67 152.95 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' C ' HG23 ' A' ' 32' ' ' THR . 0.6 OUTLIER 43.6 43.27 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.573 ' HA ' HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER 52.86 40.1 30.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' THR . 14.9 ttmm -142.11 161.75 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 69.3 t -115.44 106.32 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 31.6 mt -89.22 111.83 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.818 HD11 HD12 ' A' ' 77' ' ' LEU . 65.4 mt -97.11 146.84 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -154.48 123.75 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 47.6 p90 -135.86 158.04 45.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -177.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -98.57 173.34 6.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.7 t -135.23 116.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -91.66 119.73 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -59.87 144.93 47.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -164.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 11.5 tp10 -75.75 121.86 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 1.7 t-20 83.01 -3.0 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -88.97 155.32 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.56 128.08 35.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 pt-20 -56.39 162.17 2.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.6 t -82.25 112.25 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -92.89 -3.44 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.66 -175.34 45.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.783 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 51.8 m-85 -140.67 163.06 33.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 92' ' ' THR . 26.1 mttt -121.82 117.32 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.666 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -89.25 113.54 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 51.2 m-85 -104.94 101.23 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' C ' HG23 ' A' ' 65' ' ' VAL . 15.3 p90 -109.01 135.99 49.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -153.63 140.03 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.43 ' H ' ' HG1' ' A' ' 59' ' ' THR . 1.4 p -56.51 166.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -48.61 -46.68 39.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m -120.86 83.4 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -117.34 154.79 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -86.28 -58.87 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -122.84 128.87 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 8.5 p -81.31 155.73 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -96.46 178.16 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.5 t -137.02 151.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -138.24 126.96 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.53 135.54 39.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.86 123.9 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -97.21 20.74 10.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 170.66 13.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -87.07 14.92 6.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.8 m -139.49 178.1 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.46 178.46 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.8 mt-10 -148.45 118.5 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.818 HD12 HD11 ' A' ' 36' ' ' LEU . 12.4 mt -117.14 -177.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -99.44 153.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.6 pp -62.16 143.28 95.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.2 Cg_endo -75.03 134.52 17.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -79.98 -66.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.84 157.42 42.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.75 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.414 ' N ' ' HB3' ' A' ' 60' ' ' SER . 1.1 m-20 -49.18 174.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.555 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -128.89 120.79 26.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -99.29 112.97 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -108.8 143.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -137.79 132.72 33.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 38' ' ' TRP . 57.7 t -118.02 132.23 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -140.8 138.84 34.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.783 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -80.65 129.38 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 ' HG3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.09 141.4 48.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.396 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -121.42 -171.06 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -12.04 61.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.32 -35.13 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.71 -151.25 21.69 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -87.31 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 -131.24 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 2.4 m -105.18 143.13 33.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.759 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 3.6 m -92.63 132.19 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.438 ' CB ' HG21 ' A' ' 25' ' ' VAL . 52.9 p -67.86 177.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 122.89 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 36.8 mt-30 -48.28 136.09 12.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.823 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -86.68 161.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.41 98.96 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.0 mt -112.55 98.33 43.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.92 39.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -38.59 139.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 125.18 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 134.04 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -44.18 23.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.8 p -134.88 153.88 51.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.57 140.71 12.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 177.19 8.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.7 t -117.02 143.24 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.7 m -129.76 126.09 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -169.89 156.35 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -162.55 170.58 18.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.04 -170.71 20.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.097 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -178.46 171.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -172.48 172.74 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 97.56 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -132.7 -168.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.31 175.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -159.8 107.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -110.31 -176.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -119.73 138.99 52.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -171.27 147.68 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.73 152.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -70.76 -171.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -146.48 157.61 48.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 153.98 42.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -17.0 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m 59.32 17.25 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.771 ' O ' HG21 ' A' ' 41' ' ' VAL . 13.0 mt-30 -88.16 113.77 56.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.1 Cg_endo -75.03 147.46 33.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.01 131.07 13.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.48 -174.55 35.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 t30 48.24 29.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.738 HG12 HD11 ' A' ' 104' ' ' ILE . 58.8 t -66.53 93.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 37' ' ' ASN . 23.3 m -107.58 172.27 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.1 p-90 -147.07 178.34 8.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -167.14 162.53 15.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.86 119.04 14.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.66 145.35 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 49.68 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.543 ' HA ' HD23 ' A' ' 79' ' ' LEU . 26.7 p -151.23 45.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -144.41 -179.36 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.2 t -139.42 103.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' ' 76' ' ' GLU . 54.0 mt -82.76 109.38 16.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -97.02 145.76 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -148.08 142.85 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.641 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.2 p90 -159.11 147.4 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 176.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -100.75 157.46 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.6 t -114.76 114.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -98.6 114.54 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -57.98 153.85 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -169.93 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 1.5 tt0 -66.11 121.99 16.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER 75.68 29.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -123.28 152.96 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 121.62 26.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.1 pt-20 -63.02 164.74 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 97.6 t -93.13 119.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -101.42 -2.04 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . 179.02 -161.96 28.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.6 m-85 -156.9 160.56 39.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -116.49 116.53 27.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' CB ' HD23 ' A' ' 68' ' ' LEU . 43.1 t -89.42 111.03 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 49.1 m-85 -99.9 100.31 11.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 31.4 p90 -108.81 137.03 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.7 ptm180 -153.08 144.85 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -67.59 165.9 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -48.73 -23.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.17 90.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.8 173.94 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.5 -169.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -40.36 118.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.2 p -48.07 157.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 mm-40 -95.79 177.0 5.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 4.6 t -134.57 124.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.917 HD21 ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -107.6 137.86 44.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' HD12 ' A' ' 68' ' ' LEU . 20.1 m120 -90.04 137.96 31.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.21 116.54 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -90.53 38.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.96 -175.52 5.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -92.31 11.21 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 -171.98 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB1' HD21 ' A' ' 68' ' ' LEU . . . -171.3 171.91 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HD23 ' A' ' 35' ' ' LEU . 12.0 mt-10 -142.25 120.04 11.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 36' ' ' LEU . 18.6 mt -118.68 178.92 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -93.66 154.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -60.65 139.62 92.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.98 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.7 mp -92.37 83.81 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 79.27 155.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.77 137.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.23 176.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.93 121.54 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.634 HG22 ' HB2' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -98.3 99.82 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -99.61 138.3 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -133.8 122.68 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' A' ' 38' ' ' TRP . 97.0 t -95.71 123.93 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -118.65 141.27 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -98.96 112.79 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -99.15 157.4 16.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.4 p -138.6 -172.11 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -22.99 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -36.62 13.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.09 -160.16 29.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -173.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.62 -127.02 1.87 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 m -106.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' OE1' ' A' ' 88' ' ' GLU . 4.3 p -103.33 141.12 36.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.467 ' CB ' HG21 ' A' ' 25' ' ' VAL . 94.2 p -79.76 177.03 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.953 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 8.7 pt-20 -59.8 119.1 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.4 pt20 -45.75 136.89 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -89.62 149.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -118.79 101.61 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG12 ' CE3' ' A' ' 27' ' ' TRP . 75.1 mt -110.05 101.64 48.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -45.76 136.74 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.621 HD12 ' N ' ' A' ' 111' ' ' SER . 1.2 pp -58.85 116.86 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -41.18 -47.04 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.621 ' N ' HD12 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 85.6 -56.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.029 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 162.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.87 76.37 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.8 t -73.05 97.84 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.68 105.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 65.33 120.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.95 167.49 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.55 -111.15 2.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -133.95 100.53 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.776 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -145.99 165.59 28.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.04 117.46 5.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -117.9 171.11 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' N ' ' OG1' ' A' ' 8' ' ' THR . 7.3 m -103.05 134.99 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -161.99 166.8 25.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -120.95 172.96 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 t -156.84 133.9 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.4 t -114.94 143.5 45.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.01 137.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.65 174.85 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -141.49 157.06 66.49 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.0 151.31 39.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 147.22 33.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -91.2 31.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.598 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.0 mt-30 -105.06 108.38 61.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.71 39.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 121.8 6.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.08 -172.18 35.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.74 26.12 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.724 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 104' ' ' ILE . 43.2 t -66.8 91.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' ASN . 22.1 m -106.33 158.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 47.7 p-90 -132.69 178.56 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -167.61 161.12 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.88 119.04 14.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -140.08 146.79 39.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 32' ' ' THR . 70.0 m-20 52.64 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.509 ' HB ' HD23 ' A' ' 79' ' ' LEU . 35.7 p -156.29 45.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 15.5 ttmm -150.92 163.56 38.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 51.1 t -118.81 104.44 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 28.0 mt -85.85 115.22 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 87' ' ' ILE . 43.6 mt -96.98 156.67 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -162.34 123.92 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.603 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 43.4 p90 -137.58 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -168.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.52 162.63 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.8 t -124.23 114.05 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -98.02 112.01 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -57.51 137.73 55.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.496 ' O ' ' C ' ' A' ' 45' ' ' GLU . 2.8 ptt? -96.93 -166.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER 29.55 -142.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.2 28.58 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -71.83 179.28 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -100.85 132.29 46.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.41 162.11 13.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 62.2 t -82.33 107.89 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 p -86.57 -5.77 59.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 50' ' ' VAL . . . 177.12 -171.08 43.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.874 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 31.7 m-85 -144.17 157.14 44.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HB3' HG13 ' A' ' 67' ' ' VAL . 13.8 mttt -119.4 118.6 31.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 68' ' ' LEU . 37.8 t -91.63 120.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 23.8 m-85 -107.34 100.86 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.562 ' O ' HG23 ' A' ' 65' ' ' VAL . 23.0 p90 -108.92 136.14 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -155.52 138.23 15.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 83' ' ' GLU . 13.4 m -56.6 169.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -43.9 -28.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -159.3 97.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.5 170.59 8.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -77.47 -63.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.65 117.27 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.6 p -61.59 151.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -103.14 167.86 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 9.7 t -127.08 137.77 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -116.48 133.95 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.29 132.27 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -155.75 128.57 7.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -94.94 49.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.92 179.74 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -97.56 11.54 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.591 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 27.4 m -135.01 179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.78 -179.89 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' C ' HD22 ' A' ' 77' ' ' LEU . 36.2 mt-10 -148.91 116.24 6.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.4 mm? -108.55 -178.42 3.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.57 154.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.4 pp -58.86 146.3 76.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.4 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -76.86 -56.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 81' ' ' ILE . 2.4 mttt -151.14 -81.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HB3' HG22 ' A' ' 59' ' ' THR . 3.7 mt-10 -41.68 142.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . 32.3 m-20 -48.34 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.651 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.8 t80 -133.26 121.3 22.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.3 mp -100.58 118.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -113.22 137.01 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.4 mt-10 -132.55 125.1 29.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.12 136.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -151.14 127.93 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -69.33 157.01 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.62 148.46 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 49' ' ' GLU . 33.1 p -130.21 -174.52 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -21.67 66.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.47 -40.22 13.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.99 -145.35 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 1.1 p-10 -91.17 -177.44 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.35 -138.84 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 10.4 m -97.39 151.91 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.491 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 7.9 m -101.0 128.52 47.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 25' ' ' VAL . 85.5 p -72.14 163.26 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 6.2 pt-20 -47.31 119.75 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.659 ' HB2' HG23 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -50.12 138.91 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -86.96 161.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -131.38 99.44 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.543 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 12.2 mt -112.08 97.13 37.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.98 7.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.81 149.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.682 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -73.62 140.4 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.8 p -62.18 -179.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.2 110.49 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.3 p -75.5 118.2 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.81 100.09 0.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.34 30.25 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.6 m -138.35 110.53 7.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -103.19 119.58 39.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -94.21 169.66 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -162.86 141.98 8.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.65 -148.94 9.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.421 1.076 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 58.73 162.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.85 175.64 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.0 147.13 6.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' THR . 10.2 t -169.17 92.38 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.764 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 m -108.72 134.65 50.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 177.72 113.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 12' ' ' THR . 3.9 t -97.09 158.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 6.2 t -165.47 158.17 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.0 m -129.55 79.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -174.54 138.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.02 -174.46 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -145.92 155.21 51.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.4 Cg_endo -74.99 150.99 39.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.814 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.04 139.72 24.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 p -88.44 37.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -113.87 109.45 50.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.99 42.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.56 -175.86 40.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.99 30.12 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 104' ' ' ILE . 66.9 t -69.01 91.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 16.1 m -109.12 170.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 63.9 p-90 -147.81 178.3 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -163.53 160.43 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.1 122.42 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 t -150.88 163.75 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.504 ' C ' HG23 ' A' ' 32' ' ' THR . 25.0 m-20 45.72 -93.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.682 ' HB ' HD23 ' A' ' 79' ' ' LEU . 37.2 p -156.59 43.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.771 ' HD2' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -152.31 167.86 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.39 112.19 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD11 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -89.18 127.18 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 HG11 ' A' ' 55' ' ' VAL . 37.4 mt -108.03 151.33 25.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -155.44 125.89 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.5 p90 -145.42 152.65 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 178.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -97.65 164.48 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 4.3 t -123.33 118.04 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -112.92 115.27 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.814 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -72.36 -177.66 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.477 ' CE ' ' HB3' ' A' ' 46' ' ' ASN . 6.9 ptm -101.39 -173.12 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -78.98 5.94 10.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' HB3' ' CE ' ' A' ' 44' ' ' MET . 16.4 t30 -129.79 25.08 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 -146.91 175.73 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -96.33 122.86 39.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -61.46 163.31 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 73.7 t -89.12 130.66 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.7 p -113.48 -7.72 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.53 -165.92 31.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 65.2 m-85 -154.3 165.08 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 69.9 mttt -127.76 120.77 28.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.664 ' HB ' HD22 ' A' ' 68' ' ' LEU . 38.1 t -92.98 101.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 67' ' ' VAL . 55.0 m-85 -89.14 100.42 13.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 19.8 p90 -109.11 136.12 49.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -158.23 132.46 8.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.64 HG22 ' HB3' ' A' ' 83' ' ' GLU . 44.2 m -59.88 167.09 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' SER . 2.1 t -59.96 96.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.9 OUTLIER 85.66 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.034 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -120.81 123.83 43.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.78 114.15 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 68.95 112.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p -79.05 163.28 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.7 mp0 -95.81 177.24 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 56' ' ' PHE . 54.2 t -141.47 145.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.31 120.47 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.82 124.67 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -142.33 131.69 23.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.5 -7.43 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 173.19 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -89.36 13.52 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -133.27 -176.62 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -165.71 167.66 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 35' ' ' LEU . 2.1 mp0 -140.13 116.84 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.95 -178.27 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.36 154.22 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 32' ' ' THR . 3.0 pp -47.28 144.76 4.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.91 22.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.678 HD11 ' CD1' ' A' ' 79' ' ' LEU . 14.3 mm -109.66 86.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 64.89 156.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.64 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.3 mt-10 60.91 140.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 m-20 -59.46 167.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.604 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -118.22 121.44 40.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.627 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.3 mp -98.73 101.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -100.34 145.65 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -140.06 122.69 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CG ' ' A' ' 38' ' ' TRP . 46.6 t -93.49 134.28 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.4 mtmt -136.76 147.24 46.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -103.58 131.44 50.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.479 HG23 ' CA ' ' A' ' 53' ' ' TYR . 2.6 p -97.98 148.16 23.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.6 p -138.21 -173.1 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -16.08 62.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.44 -34.81 6.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.3 -129.06 2.27 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 178.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.22 -128.75 3.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -99.72 146.81 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.382 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.2 m -98.37 114.23 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.7 p -52.03 171.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 125.1 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 30.2 mt-30 -47.88 134.07 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.742 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -91.63 135.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -107.32 100.02 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 27' ' ' TRP . 20.6 mt -113.92 103.92 55.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.18 37.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 146.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 p -80.49 -55.54 4.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.34 170.39 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.4 p -39.68 148.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 178.84 90.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -169.8 139.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -76.71 161.49 28.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.78 113.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.41 149.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.46 -173.47 36.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.63 123.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 179.89 169.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.02 -176.34 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 m -142.97 135.41 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.58 162.83 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -104.24 145.22 30.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 12' ' ' THR . 8.5 p -105.17 168.12 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 16' ' ' THR . 80.9 p -126.51 176.66 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 13' ' ' THR . 6.2 t -94.76 70.6 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.96 118.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm 56.71 -174.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.53 ' CG2' HG21 ' A' ' 12' ' ' THR . 1.5 p -150.67 155.08 35.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.15 40.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.988 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.99 140.81 25.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -89.03 34.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.36 110.01 41.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.41 41.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.99 127.06 10.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.66 -172.74 36.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.2 t30 51.1 25.7 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG22 ' HB2' ' A' ' 38' ' ' TRP . 46.2 t -65.87 92.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 37' ' ' ASN . 21.4 m -108.91 154.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.8 p-90 -127.79 178.37 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -171.75 164.5 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.91 119.24 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.5 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -142.64 157.63 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' C ' HG23 ' A' ' 32' ' ' THR . 17.3 m-20 49.72 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.654 ' HA ' HD23 ' A' ' 79' ' ' LEU . 35.9 p -156.63 43.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -152.03 178.35 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 40.3 t -122.33 108.3 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 30' ' ' THR . 34.1 mt -82.17 107.49 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 77' ' ' LEU . 75.7 mt -97.1 149.52 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -152.88 143.6 22.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.636 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.3 p90 -160.31 151.36 19.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.035 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -176.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.62 161.46 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -123.84 117.46 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -108.32 129.83 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.988 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -94.51 133.46 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -83.67 168.79 15.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.591 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 20.0 tt0 -37.5 139.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 6.4 t-20 90.56 -38.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 19.1 mp0 -87.03 160.09 18.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.72 133.61 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -63.33 162.7 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 72.2 t -89.07 120.02 37.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 p -103.4 -6.22 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.32 -169.3 38.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 78.8 m-85 -149.15 164.24 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.977 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 27.4 mttt -122.2 117.16 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.662 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -90.23 109.52 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 44.1 m-85 -99.58 100.03 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 17.0 p90 -109.48 136.21 49.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -156.7 141.52 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 60' ' ' SER . 25.6 m -56.36 173.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 59' ' ' THR . 59.3 p -39.44 -31.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -133.2 -70.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.75 159.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.19 -73.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -125.91 120.14 29.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.2 p -57.52 151.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt-30 -106.03 155.69 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 32.1 t -113.98 144.38 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.662 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -128.57 132.65 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.77 126.86 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -142.01 114.6 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -91.46 46.43 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -178.63 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.2 p -95.41 6.3 49.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 p -128.22 177.7 6.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.55 168.93 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.4 mt-10 -144.64 121.54 11.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -118.69 -178.22 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.76 154.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 32' ' ' THR . 3.7 pp -63.08 148.38 92.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 155.15 43.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.63 -66.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' GLU . 10.7 mttt -141.07 -85.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -37.84 140.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -48.06 174.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.609 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.96 121.3 29.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.36 101.46 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -100.66 143.73 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -138.41 122.23 17.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG11 ' CG ' ' A' ' 38' ' ' TRP . 58.4 t -93.19 134.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 2.7 mttm -131.79 152.53 50.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -109.33 130.31 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.49 HG23 ' CA ' ' A' ' 53' ' ' TYR . 5.1 p -100.57 151.18 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.1 p -138.52 -170.42 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -17.52 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.37 7.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.171 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.4 -126.93 1.66 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.47 179.41 5.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.91 -132.66 3.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -104.32 153.39 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 28.6 p -101.38 126.81 48.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.409 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 86.8 p -67.25 168.18 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.63 126.36 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 25.5 mt-30 -51.27 140.16 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -93.11 160.73 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -132.23 103.58 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.498 HG12 ' CD2' ' A' ' 27' ' ' TRP . 13.1 mt -113.15 96.23 38.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.09 9.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -38.39 152.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -89.6 23.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -95.84 79.47 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.76 166.34 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.56 154.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 98.58 0.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -48.61 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -131.46 -59.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.41 109.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -178.37 82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -150.93 94.16 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.06 -172.43 12.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.84 157.98 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -101.84 161.54 13.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 -131.83 3.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m 63.18 163.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -122.11 161.97 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -151.4 167.58 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.515 ' C ' HG22 ' A' ' 12' ' ' THR . 69.5 t 63.41 126.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -178.91 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -136.4 154.16 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.44 159.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -99.42 -178.22 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -143.37 158.54 57.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.31 39.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.0 139.47 24.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m -89.15 34.45 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -117.67 109.37 41.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.79 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 124.98 9.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.12 -172.7 37.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' HG13 ' A' ' 26' ' ' VAL . 2.5 t30 51.64 27.1 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 104' ' ' ILE . 38.6 t -67.19 92.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 17.1 m -108.26 164.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 54.9 p-90 -140.87 178.28 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -168.99 162.35 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.59 119.91 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.72 145.83 38.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.47 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' C ' HG23 ' A' ' 32' ' ' THR . 35.5 m-20 52.74 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 31' ' ' ASP . 35.5 p -155.48 44.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 177.21 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 49.0 t -131.91 103.55 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 46.8 mt -82.51 112.45 19.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 HG21 ' A' ' 87' ' ' ILE . 25.7 mt -97.13 155.69 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -161.51 123.29 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CD1' HG11 ' A' ' 89' ' ' VAL . 46.8 p90 -142.98 149.04 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -107.28 161.74 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.82 121.13 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -113.02 114.69 27.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.754 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -75.84 150.51 37.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -67.19 -174.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -80.44 5.54 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.76 25.49 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.9 mm-40 -142.05 -174.54 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -105.51 127.09 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.763 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -61.85 166.03 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.887 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 49.8 t -94.24 120.16 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -96.26 -16.82 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -171.46 -160.1 19.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.887 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.4 m-85 -157.16 161.94 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 70.1 mttt -122.01 116.97 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 32.3 t -89.29 103.0 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.7 m-85 -89.39 100.99 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 24.9 p90 -110.45 136.74 49.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.7 ptm180 -152.73 154.02 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.488 HG21 ' OE2' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -76.59 165.8 24.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.83 -30.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -144.4 102.98 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -145.53 148.38 33.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 5.4 m-80 -96.24 104.93 16.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 5.3 m120 76.98 105.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 3.9 p -66.38 162.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 65' ' ' VAL . 7.8 mt-30 -95.84 177.61 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 23.1 t -138.82 140.84 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.38 123.12 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.37 115.2 18.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.443 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -131.31 138.14 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -107.51 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -165.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -107.32 2.5 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 p -124.42 -172.64 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.39 173.23 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.576 ' C ' HD22 ' A' ' 77' ' ' LEU . 20.9 mt-10 -143.87 115.82 8.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.1 mm? -110.0 -177.99 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.04 175.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.68 151.64 80.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.87 93.81 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 57.92 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 59' ' ' THR . 2.3 pt-20 -38.74 141.75 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.25 171.22 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.646 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.1 t80 -129.41 121.83 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -100.11 103.77 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.591 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -100.04 141.71 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -137.49 122.15 18.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 38' ' ' TRP . 57.8 t -92.14 136.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 1.6 mtmt -136.85 144.69 43.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -97.97 140.22 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 53' ' ' TYR . 52.4 p -107.18 144.16 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 49' ' ' GLU . 5.1 p -138.5 -172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -20.01 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.18 -36.26 7.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -141.46 8.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.24 167.17 21.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.74 -126.27 3.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -99.75 147.73 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.8 m -98.62 115.93 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.6 p -55.55 162.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 4.7 pt-20 -50.98 121.83 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.604 ' HB2' HG22 ' A' ' 86' ' ' ILE . 1.9 pt20 -47.98 135.75 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.706 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -88.12 156.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -127.53 102.2 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.3 mt -114.04 94.27 33.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.13 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -94.07 147.72 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.725 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 pp -111.02 172.6 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 109' ' ' ILE . 2.1 p -160.59 79.52 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.7 t -155.66 165.46 36.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -110.47 -56.2 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.93 113.09 4.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.9 15.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m -77.19 -61.32 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.04 79.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 65.4 145.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -148.68 166.95 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.23 112.7 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 p -168.24 105.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.947 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -162.6 89.88 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 81.79 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -125.52 128.92 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -83.97 119.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -144.4 151.63 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.72 155.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -134.33 113.79 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -80.29 103.28 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.64 152.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -114.2 -171.47 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.4 p -146.49 154.64 49.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.0 163.58 35.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.786 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.04 -18.85 18.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m 59.12 15.68 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.2 tt0 -102.26 112.07 65.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.68 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CG ' HG12 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.03 138.12 22.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.3 -171.87 25.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.0 t30 48.39 24.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD11 ' A' ' 104' ' ' ILE . 37.0 t -64.37 93.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 24' ' ' ASN . 26.2 m -106.1 166.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.672 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -143.9 178.33 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 8.3 m120 -167.83 162.94 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -138.13 110.3 7.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 35' ' ' LEU . 2.8 t -152.6 163.39 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.727 ' C ' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER 46.91 26.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 65.88 37.08 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.5 ttmm -143.24 159.93 41.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 53.4 t -112.57 113.6 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.67 HD22 ' N ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -97.34 112.86 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.802 HD11 HD12 ' A' ' 77' ' ' LEU . 51.6 mt -97.22 146.32 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 10.9 m-80 -153.66 131.56 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . 49.3 p90 -145.93 154.58 42.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -175.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -101.3 164.71 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.4 t -127.61 114.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -110.12 118.63 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 140.59 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -100.8 -161.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 44' ' ' MET . 1.1 tp10 30.4 -141.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.08 23.51 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.47 168.26 14.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -91.42 126.89 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 93' ' ' THR . 3.2 pt-20 -66.84 165.18 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.739 ' CG1' ' HB1' ' A' ' 91' ' ' ALA . 77.3 t -85.28 123.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -94.58 -14.35 25.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.9 -154.08 11.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' HA ' HG23 ' A' ' 92' ' ' THR . 78.5 m-85 -156.79 167.03 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HB3' HG13 ' A' ' 67' ' ' VAL . 43.4 mttt -135.85 117.87 15.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.3 t -90.26 113.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 36.5 m-85 -99.84 100.22 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.674 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 p90 -109.61 135.91 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.516 HH12 HG21 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -156.92 139.83 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' CB ' ' A' ' 83' ' ' GLU . 1.7 m -62.14 168.38 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -61.66 104.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.07 74.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.55 -152.96 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 4.2 t30 -138.1 91.75 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 m-20 76.22 114.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 57' ' ' TYR . 5.1 p -86.82 148.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.1 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 7.6 t -121.26 150.78 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.13 131.85 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.06 110.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -88.5 48.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.25 -179.63 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -95.97 7.49 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -131.07 176.5 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.41 178.01 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HG2' HD12 ' A' ' 35' ' ' LEU . 52.8 mt-10 -150.02 122.66 8.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.802 HD12 HD11 ' A' ' 36' ' ' LEU . 19.6 mt -118.65 -178.26 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -103.18 153.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD23 ' CA ' ' A' ' 32' ' ' THR . 4.2 pp -61.47 142.1 94.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 165.93 30.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.87 -64.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 159.88 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' CB ' HG22 ' A' ' 59' ' ' THR . 3.9 mt-10 61.72 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -53.2 169.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -121.56 122.01 38.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.9 mm -100.27 112.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -108.83 137.73 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -132.85 127.52 34.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG12 ' CG ' ' A' ' 22' ' ' PRO . 91.6 t -107.25 141.58 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.647 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -154.14 127.94 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.03 153.63 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 53' ' ' TYR . 82.8 p -112.07 140.28 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 49' ' ' GLU . 3.1 p -131.64 169.3 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.45 -16.83 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.99 -38.3 8.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 93' ' ' THR . . . 152.84 170.88 19.68 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -41.49 151.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.13 -132.19 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 6.4 m -101.69 154.42 18.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 p -100.81 110.09 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 9.2 p -52.98 178.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.95 121.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.636 ' HB2' HG22 ' A' ' 86' ' ' ILE . 5.1 pt20 -48.53 137.02 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.759 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -88.12 160.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -128.04 102.36 6.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.572 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.7 mt -119.22 97.92 50.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.5 138.03 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.719 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -66.87 144.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 p -61.77 139.19 58.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 98.8 p -166.23 73.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -47.15 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 73.61 0.34 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -41.1 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.5 t 50.93 88.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.5 t -169.56 92.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -144.16 170.79 15.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.23 171.95 7.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.69 -148.87 18.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -172.57 170.54 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.72 171.83 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.68 -178.52 21.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -155.45 151.52 27.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.57 -176.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -156.06 -172.63 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.14 173.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 12' ' ' THR . 2.6 t -170.01 109.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -98.02 155.54 17.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 tptt 67.23 138.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -176.81 3.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -144.95 158.03 53.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.05 38.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.835 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.97 141.77 27.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.56 34.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -115.31 109.34 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.5 42.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.98 128.22 11.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.16 -179.77 34.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 58.63 24.44 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 104' ' ' ILE . 21.4 t -66.23 92.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 24' ' ' ASN . 19.2 m -110.21 154.72 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 65.0 p-90 -125.65 178.81 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.04 168.2 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.33 117.01 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 1.019 HG22 HD21 ' A' ' 35' ' ' LEU . 5.7 t -130.06 164.01 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.5 m-20 41.69 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.874 ' HA ' HD11 ' A' ' 79' ' ' LEU . 11.2 p -151.99 43.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.95 -178.3 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 35' ' ' LEU . 24.1 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.89 133.16 53.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 35' ' ' LEU . 25.5 mt -117.2 149.61 40.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.34 122.52 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -139.9 153.77 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 28.3 pt20 -113.82 146.96 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 t -103.16 113.46 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -108.39 113.19 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -70.81 154.59 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.408 ' HE2' ' HB3' ' A' ' 44' ' ' MET . 2.6 ptp -72.89 -170.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 pt-20 -85.08 19.9 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.2 t30 -142.19 30.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' CD ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 mt-10 -152.45 -174.42 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 m -103.92 132.06 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -68.01 161.41 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.868 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 77.9 t -90.59 126.83 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -108.9 -9.36 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -168.69 -166.77 28.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.868 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.5 m-85 -157.63 164.88 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -124.49 117.5 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HB ' HD22 ' A' ' 68' ' ' LEU . 26.5 t -90.54 99.56 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 22.1 m-85 -86.89 100.89 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 27.9 p90 -109.82 135.69 50.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.4 ptm180 -157.01 133.34 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' CB ' ' A' ' 83' ' ' GLU . 2.7 m -58.54 165.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -60.19 92.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.1 OUTLIER 78.3 90.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -125.04 -162.54 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -86.93 -79.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -129.54 120.3 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.4 p -57.64 151.63 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 40.0 mt-30 -100.48 169.91 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 t -126.62 137.49 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -122.16 127.64 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.69 129.51 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -146.95 114.45 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -89.95 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -150.68 -175.87 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -100.33 6.6 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.56 -179.0 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.25 172.02 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.632 ' C ' HD22 ' A' ' 77' ' ' LEU . 67.6 mt-10 -148.85 120.04 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.2 mm? -109.42 -178.13 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.94 -168.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 32' ' ' THR . 31.2 mt -96.22 142.87 25.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.01 131.38 14.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -69.87 -69.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.7 mttt -132.12 -91.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -37.16 141.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.3 t80 -130.67 121.44 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 86' ' ' ILE . 1.3 mp -100.1 109.72 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -106.42 145.25 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.6 mt-10 -139.01 122.19 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -91.96 127.96 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 7.3 mttm -126.12 152.06 46.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -106.45 147.62 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 53' ' ' TYR . 14.1 p -122.03 143.85 49.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.436 HG21 ' HD3' ' A' ' 18' ' ' PRO . 69.0 p -138.05 -168.83 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -13.1 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.67 -22.93 22.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 137.46 -139.58 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.43 -176.85 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -137.12 -137.35 3.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.8 m -96.39 155.57 16.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 12.5 p -104.08 131.48 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 178.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.168 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 125.57 24.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 11.3 mt-30 -51.41 132.67 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -87.46 160.27 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -132.94 104.1 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CE3' ' A' ' 27' ' ' TRP . 5.8 mt -115.53 105.32 52.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -49.49 179.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.36 136.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 110' ' ' THR . 44.3 p -55.72 158.19 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -55.1 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m 40.17 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.88 -159.69 9.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.37 4.92 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.61 166.52 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.67 125.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -133.98 168.37 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -121.06 169.36 10.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.23 71.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -159.07 -166.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -140.75 107.57 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.55 -138.55 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -169.82 152.32 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.436 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.17 177.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -159.82 121.73 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.96 148.91 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 12' ' ' THR . 3.7 t -119.51 99.05 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -130.84 89.93 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.7 -175.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -118.05 -170.81 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -146.84 154.11 47.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.42 42.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.58 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.04 142.84 28.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -89.43 27.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -117.62 110.42 40.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 162.02 37.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -74.98 124.27 8.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.32 -173.31 41.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.13 30.38 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 104' ' ' ILE . 88.0 t -68.24 91.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 19.6 m -106.36 -176.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CD1' HG21 ' A' ' 104' ' ' ILE . 51.9 p-90 -158.59 178.39 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.06 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -163.32 160.07 23.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.45 120.89 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.809 HG22 HD21 ' A' ' 35' ' ' LEU . 9.4 t -145.48 162.71 36.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' C ' HG23 ' A' ' 32' ' ' THR . 4.7 m-20 39.11 -93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.1 p -153.27 49.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 176.91 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 38.3 t -133.61 104.68 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -82.32 119.44 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.557 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 35.6 mt -104.03 149.83 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' ' 36' ' ' LEU . 2.5 m120 -154.67 128.69 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.8 p90 -147.11 150.73 35.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -177.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -104.93 163.33 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -120.81 123.35 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -113.4 117.43 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 47' ' ' GLU . . . -76.25 140.16 41.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -170.6 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 26.4 tt0 -45.71 129.71 9.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 8.4 t-20 85.19 -53.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.739 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.6 mt-10 -51.54 142.15 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -84.16 140.33 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.678 ' O ' HG22 ' A' ' 93' ' ' THR . 2.9 pt-20 -68.59 161.69 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.869 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 63.2 t -91.62 124.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.0 p -107.24 -9.99 15.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.38 -177.03 43.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.869 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.1 m-85 -146.49 159.01 43.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HD3' HG11 ' A' ' 67' ' ' VAL . 71.4 mttt -117.55 121.91 42.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.9 t -93.44 100.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG22 ' A' ' 67' ' ' VAL . 66.1 m-85 -88.65 101.17 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.596 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 26.4 p90 -111.39 136.05 51.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -156.81 141.59 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.8 m -59.4 172.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -149.39 99.29 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.47 -165.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -96.88 -78.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -124.29 125.39 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.8 p -59.39 154.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 15.2 mt-30 -99.2 178.15 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.678 HG22 ' CE1' ' A' ' 56' ' ' PHE . 49.0 t -136.03 147.1 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.3 123.52 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 123.26 26.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 122.39 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -92.96 25.15 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -134.44 -175.37 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.03 7.44 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.2 p -129.56 -174.68 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.19 174.99 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' C ' HD22 ' A' ' 77' ' ' LEU . 38.6 mt-10 -144.97 115.86 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.71 -178.45 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.18 157.71 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -66.2 142.13 97.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 109' ' ' ILE . 18.3 Cg_endo -74.94 129.19 12.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.768 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.6 mp -87.89 -61.53 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.5 150.23 51.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 65.47 142.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -53.86 175.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -129.02 121.52 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.726 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -98.85 114.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.468 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.19 136.29 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -131.23 123.27 28.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.592 HG11 ' CD1' ' A' ' 38' ' ' TRP . 43.5 t -93.12 138.72 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -139.52 146.44 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.14 143.8 28.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 53' ' ' TYR . 32.9 p -112.34 142.94 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -137.95 173.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -11.09 47.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.57 -36.37 5.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.14 -136.54 4.6 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.25 178.52 5.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.25 -141.02 5.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.7 m -98.66 148.41 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.4 p -95.71 123.54 39.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -69.01 162.14 27.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 4.8 pt-20 -47.93 120.03 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.726 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.3 pt20 -49.34 137.67 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -86.89 150.78 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -119.71 102.51 8.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 27' ' ' TRP . 15.0 mt -112.92 98.9 46.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.02 157.24 42.82 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 7.0 mtp180 -38.52 138.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -72.9 163.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 t -115.8 -35.63 4.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.639 ' N ' HD12 ' A' ' 109' ' ' ILE . 0.5 OUTLIER 168.68 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.415 ' H ' HD13 ' A' ' 109' ' ' ILE . 19.6 m 55.49 67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.66 99.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 89.62 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.43 1.752 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.65 128.73 51.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m 48.1 80.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.5 20.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.98 -36.86 2.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.787 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 82.59 -5.67 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.5 tt0 -86.42 118.25 70.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.97 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.93 126.36 9.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.0 -178.74 38.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.6 t30 54.54 26.65 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 104' ' ' ILE . 94.6 t -64.3 92.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 24' ' ' ASN . 28.5 m -106.7 159.93 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.9 p-90 -136.32 178.52 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -167.24 162.68 15.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.97 119.28 14.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -143.42 159.37 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' C ' HG23 ' A' ' 32' ' ' THR . 47.4 m-20 46.38 -94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' THR . 50.2 p -153.7 42.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HD2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -149.25 174.0 12.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -123.87 106.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.508 HD21 ' HD2' ' A' ' 33' ' ' LYS . 36.7 mt -82.36 108.45 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.929 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -96.84 149.16 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.87 139.62 18.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.55 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -155.93 152.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -179.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -104.0 160.68 14.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 18.8 t -122.44 122.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -115.0 120.13 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.855 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 1.8 mp0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -86.8 131.52 34.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -71.02 162.65 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 60.3 t -90.63 117.81 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 -7.28 22.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.09 -177.79 47.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.1 m-85 -143.32 160.65 40.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 67' ' ' VAL . 9.8 mttt -114.87 116.85 29.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' HB ' HD22 ' A' ' 68' ' ' LEU . 23.5 t -89.52 101.1 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.9 m-85 -89.16 100.69 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 29.1 p90 -109.95 136.13 49.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -155.3 149.6 25.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 60' ' ' SER . 87.6 m -63.02 171.02 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 59' ' ' THR . 5.0 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.7 mt-30 -98.58 162.69 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 10.0 t -121.31 136.23 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.83 131.8 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -82.34 132.74 35.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.07 115.46 7.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -90.62 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -158.26 -177.69 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -94.26 5.85 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.3 p -126.16 178.36 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -166.77 170.46 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 mt-10 -143.94 116.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 36' ' ' LEU . 16.8 mt -111.59 -177.94 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -96.89 155.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -54.42 146.09 34.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 122.94 7.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 mp -91.97 84.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 156.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.56 136.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.13 168.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -124.13 121.68 35.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.708 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.1 mm -98.05 100.59 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.01 138.19 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -133.76 126.01 29.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -97.36 128.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -125.18 135.27 52.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -96.34 116.58 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -105.46 156.57 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.8 p -137.35 -171.45 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -13.48 58.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.06 -36.24 6.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.96 -160.48 29.41 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -179.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.76 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.91 -128.64 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m -105.79 153.47 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.413 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 8.0 p -101.91 124.52 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 p -59.38 -158.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.97 122.09 31.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.708 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.6 pt20 -44.61 135.25 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -91.97 144.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -114.13 104.15 11.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.583 HG12 ' CE3' ' A' ' 27' ' ' TRP . 47.7 mt -111.63 111.91 54.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.98 143.0 28.6 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.99 153.18 41.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.961 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.96 137.79 22.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.89 38.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.494 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.5 tt0 -116.18 111.02 42.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.78 43.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.01 123.11 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.93 -173.31 39.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.9 t30 51.8 28.93 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 104' ' ' ILE . 46.1 t -68.84 91.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' ASN . 18.4 m -108.9 160.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 53.9 p-90 -136.05 178.54 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 107.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -167.31 165.07 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.58 118.72 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.17 158.09 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 32' ' ' THR . 14.1 m-20 50.11 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 31' ' ' ASP . 34.7 p -156.87 42.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' CD ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.56 174.72 13.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.6 t -118.12 107.41 21.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 76' ' ' GLU . 18.8 mt -82.5 113.22 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.631 HD11 HG21 ' A' ' 87' ' ' ILE . 24.3 mt -96.97 155.27 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -162.69 123.17 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CD1' HG11 ' A' ' 89' ' ' VAL . 44.2 p90 -139.56 169.74 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -171.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.34 162.53 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 20' ' ' GLN . 15.0 t -120.37 117.7 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -107.14 119.37 39.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.961 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.6 m -84.42 134.74 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -65.7 162.04 19.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.1 t -90.79 122.54 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.3 p -96.62 -10.77 26.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.72 -164.32 32.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 91' ' ' ALA . 63.2 m-85 -150.0 164.19 36.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 78.7 mttt -125.15 117.31 23.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.685 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -88.88 99.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 64.7 m-85 -87.59 100.82 13.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 28.4 p90 -111.04 135.74 51.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 6.0 ptm180 -156.42 143.5 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 83' ' ' GLU . 34.0 m -61.41 170.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.413 ' H ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.4 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.542 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 2.1 mt-30 -98.41 175.18 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.1 t -136.9 133.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.685 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.73 128.53 54.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.3 133.92 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 t -153.53 123.76 7.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -92.52 21.96 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -128.28 -170.77 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -107.06 11.17 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 p -130.91 177.7 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.946 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.66 175.79 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' C ' HD22 ' A' ' 77' ' ' LEU . 47.1 mt-10 -148.09 116.91 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.43 -178.06 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.35 -171.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -99.66 132.8 22.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.04 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.409 HD12 ' H ' ' A' ' 81' ' ' ILE . 4.0 mp -66.19 -53.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.56 164.25 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.5 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 61.59 141.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.82 176.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -126.89 121.56 32.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.555 HG22 ' HB2' ' A' ' 103' ' ' GLN . 2.3 mm -99.85 102.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -101.24 141.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -136.07 122.71 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 38' ' ' TRP . 52.1 t -94.0 131.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -132.5 146.26 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.32 140.99 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 51.9 p -106.37 145.6 31.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.441 HG21 ' CD ' ' A' ' 18' ' ' PRO . 36.2 p -138.37 -175.49 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -22.36 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.91 -33.14 16.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.46 -131.31 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -174.88 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.43 -127.96 2.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -103.08 148.28 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.4 m -102.85 117.36 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.425 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.1 p -52.59 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 121.92 19.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.555 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.8 pt20 -47.42 135.79 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -87.55 152.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -121.99 101.94 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.0 mt -113.65 99.76 50.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -75.04 172.33 16.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.2 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.954 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 144.71 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.93 29.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 41' ' ' VAL . 2.9 tt0 -112.99 112.2 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.15 41.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.97 128.32 11.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.91 -175.19 29.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.8 OUTLIER 53.46 21.98 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 HD11 ' A' ' 104' ' ' ILE . 42.4 t -64.32 90.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ASN . 21.4 m -106.61 159.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.711 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.6 p-90 -132.05 178.54 6.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -169.17 162.42 10.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.54 119.06 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.72 144.66 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' C ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 52.44 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 79' ' ' LEU . 75.1 p -153.6 46.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 179.6 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 47.5 t -134.95 103.94 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 53.5 mt -82.61 108.41 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.984 HD11 HD12 ' A' ' 77' ' ' LEU . 86.6 mt -96.62 147.7 23.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.9 m-80 -149.63 143.75 25.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 25' ' ' VAL . 42.7 p90 -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -106.93 155.3 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 12.4 t -115.51 112.89 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -103.57 120.0 40.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.954 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 137.35 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -65.82 162.56 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.5 t -90.47 118.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.9 p -94.34 -16.55 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.17 -169.32 36.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.3 m-85 -145.48 173.83 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.746 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 43.4 mttt -128.41 124.13 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.645 ' HB ' HD22 ' A' ' 68' ' ' LEU . 41.7 t -95.79 96.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.1 m-85 -87.78 100.59 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 25.6 p90 -110.25 136.77 48.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -155.74 144.64 20.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 83' ' ' GLU . 85.5 m -58.16 168.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.1 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 60.6 mt-30 -96.11 178.03 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.71 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 20.0 t -141.14 138.44 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.645 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -125.57 128.9 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -77.29 139.6 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.05 117.75 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -89.91 18.15 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 -172.54 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -102.13 7.49 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.16 -171.09 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -173.1 171.39 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 35' ' ' LEU . 17.7 mt-10 -143.59 116.0 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 36' ' ' LEU . 14.3 mt -112.36 -178.3 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -96.18 153.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.0 pp -61.99 144.0 94.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.1 Cg_endo -75.02 129.08 11.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -77.57 -56.47 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' GLU . 4.8 mttt -145.65 163.87 33.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.6 mt-10 60.53 144.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -53.08 175.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.655 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.04 121.41 23.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.828 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -100.22 105.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -104.48 133.32 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -128.05 128.2 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG11 ' CG ' ' A' ' 38' ' ' TRP . 57.9 t -101.87 125.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 5.8 mttm -122.08 146.63 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -94.64 141.75 28.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 53' ' ' TYR . 30.7 p -114.48 148.29 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 49' ' ' GLU . 35.0 p -138.74 -168.88 2.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -12.16 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.51 -35.66 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.7 -136.35 4.68 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -172.56 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -140.33 -136.46 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m -93.36 153.74 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 5.1 p -105.81 128.23 53.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -70.33 165.91 21.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 123.7 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.828 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.6 pt20 -51.84 136.17 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.753 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -87.46 137.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -108.1 100.92 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.513 HG12 ' CE3' ' A' ' 27' ' ' TRP . 84.3 mt -112.18 97.78 40.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.5 Cg_endo -74.97 162.62 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 11.0 mtp180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.4 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -21.39 15.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.759 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 57.86 16.65 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -107.02 114.88 61.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.38 42.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 132.96 15.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.81 -173.42 31.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.1 t30 50.28 26.31 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG12 HD11 ' A' ' 104' ' ' ILE . 42.0 t -63.07 96.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 37' ' ' ASN . 34.4 m -106.51 149.95 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -131.94 178.92 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.1 m-20 -171.24 167.22 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -137.88 112.56 8.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.8 t -152.15 161.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.518 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 43.17 39.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 54.67 40.41 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -141.37 178.99 7.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 54.0 t -130.62 100.5 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 55.3 mt -83.01 106.14 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.645 ' CD1' HD12 ' A' ' 77' ' ' LEU . 86.4 mt -96.22 145.55 25.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -156.31 122.58 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CD1' HG11 ' A' ' 89' ' ' VAL . 45.8 p90 -134.15 171.43 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -173.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -108.8 155.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.85 119.65 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -117.55 124.22 48.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.815 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.815 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m -96.79 138.35 34.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.23 161.17 30.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 78.4 t -87.28 119.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -92.02 -12.54 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -179.33 -156.96 18.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.8 m-85 -155.96 166.54 33.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 47.2 mttt -126.8 116.81 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -89.58 100.08 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 43.9 m-85 -88.19 100.99 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 65' ' ' VAL . 29.2 p90 -110.76 136.41 49.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -155.79 147.28 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 60' ' ' SER . 52.4 m -65.66 172.43 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.514 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 57' ' ' TYR . 11.5 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.0 mt-30 -105.02 171.18 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.7 t -124.7 146.25 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.19 130.78 41.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.88 135.29 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.56 113.1 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -83.89 52.28 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 179.36 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 30.0 p -94.29 9.46 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -118.98 177.4 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -176.91 167.7 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.5 mt-10 -144.28 117.5 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 36' ' ' LEU . 2.5 mt -114.84 170.96 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -78.41 177.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -80.11 148.27 67.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.1 mp -87.19 84.1 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 152.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 64.07 140.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' HB3' ' A' ' 60' ' ' SER . 9.0 m-20 -52.94 178.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.48 121.7 21.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 86' ' ' ILE . 1.1 mm -100.11 106.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -103.42 142.21 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -136.41 123.27 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.56 HG11 ' CD1' ' A' ' 38' ' ' TRP . 55.3 t -93.73 130.13 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -126.08 152.07 46.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.19 123.68 50.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' CA ' ' A' ' 53' ' ' TYR . 16.5 p -93.34 152.2 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -138.22 -170.72 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -26.13 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.87 -37.75 15.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.71 -135.03 4.04 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -179.24 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.31 -131.69 3.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -102.44 155.2 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.4 m -106.45 124.79 50.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 6.4 p -55.67 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.63 124.09 26.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 86' ' ' ILE . 4.7 mt-30 -47.12 134.66 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -88.18 160.19 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -130.68 100.23 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.558 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.6 mt -114.71 102.41 54.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.89 30.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 15.5 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.0 160.81 39.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.77 18.96 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.474 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -104.97 113.97 64.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.51 42.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.1 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.47 -175.22 35.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 48.39 33.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.789 HG12 HD11 ' A' ' 104' ' ' ILE . 30.1 t -69.34 92.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 22.5 m -108.4 160.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.686 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.7 p-90 -134.24 178.64 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -167.2 162.29 15.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.98 120.75 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -138.65 145.29 40.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' C ' HG23 ' A' ' 32' ' ' THR . 73.9 m-20 50.8 -90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 79' ' ' LEU . 71.9 p -152.31 45.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 177.98 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 t -133.47 103.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.5 mt -82.55 108.7 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.808 HD11 HD12 ' A' ' 77' ' ' LEU . 77.6 mt -96.73 143.97 27.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -146.55 139.81 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.586 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 48.9 p90 -156.19 154.8 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 179.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -98.8 162.54 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.2 t -124.71 112.34 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -108.05 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -91.1 119.97 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -65.58 165.17 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' CG2' HG12 ' A' ' 41' ' ' VAL . 74.6 t -87.3 119.06 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -92.62 -12.74 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.26 -155.61 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 60.7 m-85 -156.4 159.6 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' HD3' HG11 ' A' ' 67' ' ' VAL . 57.3 mttt -123.05 127.82 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.717 ' HB ' HD22 ' A' ' 68' ' ' LEU . 33.1 t -99.72 104.71 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . 46.4 m-85 -91.73 101.15 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.6 p90 -108.79 135.51 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -159.25 136.27 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 170.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 11.4 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 14.5 mt-30 -99.91 167.96 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.496 HG11 ' HD3' ' A' ' 54' ' ' LYS . 53.0 t -123.46 148.63 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.717 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.14 128.6 32.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.59 130.77 37.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.05 111.61 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -89.43 45.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -179.91 8.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -92.96 6.99 45.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.17 -179.35 5.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.586 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -164.86 173.17 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.3 mt-10 -143.84 115.85 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 36' ' ' LEU . 8.7 mt -113.39 -179.36 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.42 156.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -71.91 140.07 83.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.97 157.49 42.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.99 -50.52 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -141.12 158.49 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.28 142.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.05 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -126.5 121.56 32.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -100.58 101.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.537 HD11 HD12 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -101.07 142.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -137.16 122.59 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 38' ' ' TRP . 51.9 t -93.73 132.09 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -130.53 150.64 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -106.26 129.48 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.48 HG23 ' CA ' ' A' ' 53' ' ' TYR . 32.4 p -94.18 152.33 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 49' ' ' GLU . 16.1 p -137.37 -173.48 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.11 -18.52 61.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.21 -31.61 7.92 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 93' ' ' THR . . . 153.04 -150.22 21.94 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.92 174.79 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.78 -121.7 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -111.9 148.63 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.446 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.1 m -96.27 133.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.483 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.2 p -69.96 -166.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 126.96 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' HG3' ' A' ' 88' ' ' GLU . 31.1 mt-30 -53.51 137.62 35.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.789 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.71 154.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.35 107.9 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.618 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 33.3 mt -121.09 98.01 47.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.82 34.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 148.9 35.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.08 140.64 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 34.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HG2' HG22 ' A' ' 41' ' ' VAL . 6.2 tt0 -113.74 110.24 49.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.61 42.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 129.51 12.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.89 -172.67 36.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 26' ' ' VAL . 10.6 t30 51.26 26.27 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 104' ' ' ILE . 44.7 t -66.48 91.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.4 m -107.08 169.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 58.6 p-90 -147.8 178.27 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -170.75 164.42 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.67 103.97 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.639 HG22 HD23 ' A' ' 35' ' ' LEU . 2.1 t -152.5 163.82 38.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.718 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 56.32 22.67 6.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.718 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER 66.82 37.09 4.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -151.9 173.45 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 78' ' ' VAL . 51.7 t -115.01 116.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.71 111.56 23.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 77' ' ' LEU . 45.5 mt -97.29 145.0 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.02 130.19 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.4 p90 -146.98 154.1 40.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -175.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 20' ' ' GLN . 2.9 t -109.92 112.73 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.13 112.45 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 123.45 36.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 93' ' ' THR . 2.8 pt-20 -54.52 163.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.798 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.7 t -89.49 116.88 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -97.05 -12.9 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.69 -171.29 37.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.798 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 80.3 m-85 -147.04 168.16 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 36.9 mttt -126.97 117.02 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.67 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.1 t -92.34 99.95 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' GLU . 45.9 m-85 -89.58 100.76 13.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 20.3 p90 -109.97 135.57 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.1 ptm180 -155.62 152.95 29.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 83' ' ' GLU . 86.4 m -65.75 169.12 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.1 mt-30 -99.88 168.11 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' A' ' 56' ' ' PHE . 40.6 t -125.85 146.83 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.93 122.39 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.59 130.3 37.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -145.99 130.31 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -98.26 3.89 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.51 165.52 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -81.91 6.96 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -175.34 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.76 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 17.6 mt-10 -142.05 118.36 10.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -116.48 -178.03 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.3 m -88.57 -175.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -94.47 148.39 34.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.22 -53.26 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 156.55 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HB3' HG22 ' A' ' 59' ' ' THR . 4.1 mt-10 62.8 138.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 m-20 -51.78 172.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.608 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -125.93 122.14 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.1 mp -101.85 104.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.458 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -101.36 146.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -138.43 122.72 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' CG ' ' A' ' 38' ' ' TRP . 98.9 t -93.83 127.93 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 3.1 mttm -124.82 154.08 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -108.7 135.2 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.513 HG23 ' CA ' ' A' ' 53' ' ' TYR . 24.1 p -105.91 148.51 27.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -138.3 -169.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.41 61.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.78 -37.33 10.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.52 -128.37 1.99 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -179.5 5.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -130.88 -132.85 3.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.6 m -100.26 155.04 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.427 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 21.8 p -107.35 117.08 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.7 p -52.75 -177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.7 125.34 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' CG ' HG23 ' A' ' 86' ' ' ILE . 19.2 mt-30 -47.27 137.23 8.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -92.41 161.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.41 112.71 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.631 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 8.7 mt -123.47 93.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.34 40.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 154.03 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.794 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.97 145.6 31.77 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.9 m -89.7 29.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -110.79 109.06 57.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.41 41.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 120.79 6.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.72 -171.78 36.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.0 t30 54.56 22.56 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 104' ' ' ILE . 24.1 t -65.82 90.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 24' ' ' ASN . 20.2 m -106.36 156.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.6 p-90 -127.26 178.19 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -167.14 162.34 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.71 122.75 19.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.32 144.35 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.458 ' C ' HG23 ' A' ' 32' ' ' THR . 47.8 m-20 51.98 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' THR . 31.9 p -154.75 45.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.02 177.98 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 55.4 t -132.0 103.64 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 41.9 mt -82.65 112.19 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 87' ' ' ILE . 32.7 mt -97.51 157.62 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -162.61 123.36 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.581 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.8 p90 -139.77 153.6 47.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 178.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -96.77 177.88 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.502 HG22 ' HG2' ' A' ' 20' ' ' GLN . 6.7 t -143.24 113.4 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -108.21 123.74 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.794 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -75.81 137.27 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.066 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -64.23 162.54 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.1 t -86.37 127.9 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -100.46 -18.98 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -173.74 -156.2 13.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.1 m-85 -156.95 149.82 23.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 92' ' ' THR . 62.4 mttt -111.89 118.86 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.757 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.9 t -91.0 104.54 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 21.7 m-85 -89.04 100.68 13.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 23.1 p90 -109.58 135.79 50.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.0 ptm180 -160.82 138.49 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.1 m -60.6 171.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.1 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.4 mt-30 -108.09 162.55 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.68 138.38 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.98 130.19 53.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.87 122.38 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.87 22.07 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -173.14 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.49 7.94 44.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -127.52 -173.32 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.61 172.72 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.575 ' C ' HD22 ' A' ' 77' ' ' LEU . 29.3 mt-10 -144.87 116.37 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.22 -178.24 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 m -92.26 162.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.8 134.95 81.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.85 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -79.39 -59.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.631 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.1 mt-10 61.45 143.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -59.3 162.7 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -114.75 121.24 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.65 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -99.0 113.94 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.75 134.6 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 38' ' ' TRP . 78.4 t -102.66 149.53 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -161.89 130.17 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -68.32 154.86 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 54' ' ' LYS . 16.0 p -126.5 146.04 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 49' ' ' GLU . 26.7 p -133.31 175.56 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -10.89 58.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.41 -37.99 6.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.78 -149.52 16.37 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.38 175.74 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -137.92 5.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.7 m -99.39 154.05 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -100.59 110.39 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.452 ' OG ' HG21 ' A' ' 25' ' ' VAL . 92.1 p -57.65 170.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.5 122.1 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 86' ' ' ILE . 1.9 pt20 -55.92 139.83 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -87.48 161.29 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -133.89 97.25 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 27' ' ' TRP . 5.7 mt -109.65 100.47 42.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.67 30.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 18.4 Cg_endo -74.91 141.41 26.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 37.86 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.607 ' O ' HG21 ' A' ' 41' ' ' VAL . 6.6 mt-30 -106.89 107.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 151.07 38.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.98 128.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.6 -169.97 34.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 47.98 28.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 104' ' ' ILE . 22.8 t -69.17 89.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 37' ' ' ASN . 18.3 m -106.34 163.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.3 p-90 -134.79 177.3 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 3.9 m120 -169.85 168.02 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.18 116.13 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -151.84 150.67 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' THR . 1.6 m-20 39.47 63.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER 36.04 53.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 176.85 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 55.6 t -132.88 101.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.508 HD23 ' HG2' ' A' ' 76' ' ' GLU . 58.3 mt -82.01 111.65 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 87' ' ' ILE . 34.8 mt -97.29 156.45 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -160.16 131.02 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.652 ' CG ' HG11 ' A' ' 89' ' ' VAL . 46.4 p90 -149.61 148.11 28.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 174.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -92.33 163.82 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.2 t -120.23 113.31 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.49 112.39 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 4.4 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -85.46 123.13 30.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -57.54 162.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.3 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.825 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.8 t -86.74 120.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -99.61 -14.1 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.24 -163.68 24.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.825 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 73.0 m-85 -154.87 160.01 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HD3' HG11 ' A' ' 67' ' ' VAL . 19.7 mttm -118.37 117.39 28.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.732 ' HB ' HD22 ' A' ' 68' ' ' LEU . 42.0 t -91.84 99.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 47.5 m-85 -89.91 100.44 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 21.2 p90 -109.68 136.41 49.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -156.08 145.06 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' SER . 24.7 m -63.51 170.35 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.0 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 mt-30 -107.59 157.41 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.476 HG11 ' HD3' ' A' ' 54' ' ' LYS . 30.4 t -113.09 149.32 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.732 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.75 129.29 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.47 120.56 26.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -134.41 119.1 18.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.5 41.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 -172.08 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -103.4 10.2 37.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.0 p -130.97 -178.59 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -167.66 170.66 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HG2' HD23 ' A' ' 35' ' ' LEU . 19.8 mt-10 -142.78 115.56 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -110.37 -177.64 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.18 155.64 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -62.98 144.6 97.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 127.83 11.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.802 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -81.02 -55.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 155.37 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.14 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -48.52 170.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.619 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -124.73 121.5 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.7 111.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.59 142.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -135.58 122.04 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 38' ' ' TRP . 61.3 t -93.07 130.15 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.2 mtmt -126.87 153.47 45.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.77 130.66 55.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 4.8 p -105.12 150.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 49' ' ' GLU . 23.9 p -138.76 -168.62 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -13.07 61.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.18 -34.81 5.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 151.58 -142.48 9.5 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -73.47 -170.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.7 -123.94 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.6 m -104.83 153.09 21.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.3 m -104.74 125.57 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.41 ' CB ' HG21 ' A' ' 25' ' ' VAL . 68.9 p -60.76 -175.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 124.63 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 12.0 mt-30 -49.96 133.2 22.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.818 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -87.27 160.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -132.03 101.4 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 27' ' ' TRP . 11.3 mt -114.13 97.5 45.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.2 Cg_endo -75.02 163.79 34.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.8 mpp_? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HA ' ' OG ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -75.03 166.96 28.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.04 -18.06 18.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 11.75 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -96.31 112.63 60.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.97 148.43 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.0 125.19 9.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.81 -170.29 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 48.62 25.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -64.87 92.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 24' ' ' ASN . 23.8 m -106.72 158.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.0 p-90 -133.95 177.33 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -167.83 164.46 14.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.12 116.96 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.548 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.42 156.89 45.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' C ' HG23 ' A' ' 32' ' ' THR . 8.2 m-20 49.08 -92.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 31' ' ' ASP . 36.2 p -156.09 43.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.434 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.2 172.18 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -117.32 108.1 23.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 30' ' ' THR . 17.5 mt -82.44 108.21 15.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 77' ' ' LEU . 78.1 mt -97.3 146.87 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.79 128.14 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CG ' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -141.31 164.09 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -172.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -110.68 159.31 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.2 t -125.23 118.49 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -111.83 120.34 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.724 ' OG ' HG21 ' A' ' 93' ' ' THR . 60.5 p -83.66 122.97 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.797 ' O ' HG22 ' A' ' 93' ' ' THR . 2.0 pt-20 -69.03 158.66 34.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.677 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.7 t -82.71 112.96 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.5 p -99.88 -10.62 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.76 -170.41 40.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.677 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 61.9 m-85 -147.07 158.16 43.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 87.3 mttt -121.03 117.47 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 34.9 t -87.9 110.57 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CE1' HG22 ' A' ' 67' ' ' VAL . 64.6 m-85 -98.25 100.92 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.7 p90 -110.28 136.43 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -156.74 138.68 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.21 168.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 57' ' ' TYR . 8.2 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.0 mt-30 -100.85 176.86 5.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 56' ' ' PHE . 47.8 t -135.17 146.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.87 128.75 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -76.72 135.61 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.43 116.58 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.21 24.62 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.9 174.31 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.08 10.87 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.5 -173.88 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.475 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -172.71 171.6 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' HD22 ' A' ' 35' ' ' LEU . 35.9 mt-10 -145.28 116.01 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 36' ' ' LEU . 5.7 mt -114.66 -178.24 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.58 -173.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -102.92 137.69 19.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.28 11.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.09 -49.61 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -144.95 165.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.28 138.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 m-20 -54.43 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.63 123.59 35.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -101.9 102.15 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.45 142.49 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -137.57 125.71 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 38' ' ' TRP . 48.2 t -95.51 132.56 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.7 mtmt -133.39 146.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.511 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -96.87 145.62 25.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 61.8 p -109.47 150.0 28.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -138.58 -179.98 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -14.77 61.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.2 -34.61 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.06 -144.31 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 174.5 8.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.12 -131.04 4.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -107.03 151.88 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -95.9 128.05 42.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.455 ' CB ' HG21 ' A' ' 25' ' ' VAL . 32.9 p -59.91 -150.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.2 121.85 36.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 86' ' ' ILE . 29.3 mt-30 -46.24 134.51 8.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -92.09 153.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -123.26 105.59 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.562 HG12 ' CE3' ' A' ' 27' ' ' TRP . 6.2 mt -118.48 96.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.1 Cg_endo -75.0 162.47 37.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 8.0 mtp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 150.63 38.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.806 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.779 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.93 139.4 24.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 36.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.7 tt0 -116.42 109.14 44.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.74 42.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.5 Cg_endo -74.99 125.05 9.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 -176.09 35.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.5 t30 56.03 23.27 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG12 HD11 ' A' ' 104' ' ' ILE . 23.7 t -65.17 90.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ASN . 22.0 m -107.04 157.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 1.007 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 57.1 p-90 -132.03 178.34 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -168.98 163.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.7 120.39 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.94 146.45 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' C ' HG23 ' A' ' 32' ' ' THR . 18.6 m-20 51.09 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 48.3 p -153.97 43.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -148.67 163.0 38.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 43.2 t -118.45 102.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 30.3 mt -82.62 113.22 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 87' ' ' ILE . 42.6 mt -96.88 159.83 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -164.21 127.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -145.85 150.91 37.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -177.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -104.17 158.5 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.424 HG13 ' HG2' ' A' ' 20' ' ' GLN . 6.3 t -116.55 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.94 115.87 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -104.81 126.59 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.672 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.56 165.72 7.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.7 t -94.38 127.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 p -109.11 -10.04 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.99 -168.12 32.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 68.6 m-85 -155.22 161.35 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 67' ' ' VAL . 73.9 mttt -120.35 119.09 32.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.5 t -91.44 100.75 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 51.6 m-85 -86.8 101.6 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 26.1 p90 -110.34 136.21 49.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.7 ptm180 -156.32 144.69 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 83' ' ' GLU . 2.7 m -66.6 177.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.3 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 32.7 mt-30 -96.74 178.18 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.541 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.5 t -137.11 135.92 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.2 128.16 53.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -79.88 123.77 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.66 125.93 21.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -97.84 37.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -172.99 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -100.11 4.8 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 p -125.81 -175.7 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.57 173.98 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.573 ' C ' HD22 ' A' ' 77' ' ' LEU . 51.5 mt-10 -147.6 118.77 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.3 mm? -109.27 -177.98 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -97.65 153.22 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.35 137.73 88.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.2 mp -67.47 -63.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -141.29 162.73 34.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.4 mt-10 66.02 143.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.43 167.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.4 t80 -123.4 121.4 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 85' ' ' TYR . 1.2 mm -100.87 112.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.54 HG21 HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 140.82 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -135.47 121.84 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.9 t -90.88 136.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 1.5 mttm -133.92 146.72 50.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -102.69 135.31 44.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 53' ' ' TYR . 29.4 p -104.26 146.83 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 49' ' ' GLU . 6.8 p -138.24 -173.64 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -14.3 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.89 -34.98 5.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.11 -144.42 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 173.56 10.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.24 -128.59 3.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -97.96 151.37 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.367 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 4.3 p -102.07 112.87 25.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.411 ' CB ' HG21 ' A' ' 25' ' ' VAL . 83.6 p -49.52 177.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.84 122.84 17.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.0 pt20 -48.6 136.53 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -89.34 159.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -130.97 97.4 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 1.007 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 7.7 mt -111.48 99.24 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.28 27.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.07 156.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -12.54 21.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.436 ' C ' ' HG1' ' A' ' 99' ' ' THR . 4.6 m 54.58 18.96 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.8 mt-30 -89.16 113.11 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.57 ' HG3' HG12 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 135.03 18.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.76 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.38 -172.52 30.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 45.58 32.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.699 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -68.28 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 37' ' ' ASN . 27.6 m -106.62 175.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 69.4 p-90 -153.33 178.66 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -162.73 158.24 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.39 122.13 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' LEU . 1.5 t -150.88 160.65 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' C ' HG23 ' A' ' 32' ' ' THR . 32.5 m-20 44.63 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' THR . 41.1 p -155.81 44.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.49 161.37 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 31.6 t -117.24 107.99 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.566 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.0 OUTLIER -87.25 116.97 25.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 87' ' ' ILE . 35.4 mt -99.61 157.46 16.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -163.53 123.37 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 73' ' ' THR . 47.6 p90 -139.52 169.33 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -166.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -111.68 171.77 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG12 ' CG2' ' A' ' 50' ' ' VAL . 2.3 t -133.35 113.98 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -102.72 111.24 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -88.45 117.64 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 pt-20 -59.28 160.34 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.536 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.2 t -82.51 121.6 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 p -101.0 -8.04 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -175.02 -159.29 20.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.89 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 47.8 m-85 -157.41 160.63 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 67' ' ' VAL . 7.5 mttt -125.26 117.31 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.0 t -91.26 110.2 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CE ' ' A' ' 90' ' ' LYS . 26.6 m-85 -94.31 100.66 12.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 16.7 p90 -108.71 135.34 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.1 ptm180 -155.35 130.84 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 60' ' ' SER . 54.7 m -64.41 168.47 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.505 ' HG ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 13.3 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 44.9 mt-30 -102.63 177.18 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 54' ' ' LYS . 15.1 t -135.09 138.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.66 122.34 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.28 123.91 29.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 139.58 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.79 48.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.26 177.41 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -95.27 7.1 47.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.425 ' O ' ' CH2' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -126.98 -175.22 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.74 173.48 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.635 ' C ' HD22 ' A' ' 77' ' ' LEU . 50.4 mt-10 -144.07 117.22 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.635 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.1 mm? -109.4 -177.95 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.75 153.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -49.51 150.06 3.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.0 120.04 5.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -80.89 89.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 62.23 -96.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -38.29 141.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 60' ' ' SER . 3.5 m-20 -51.76 -177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.6 t80 -137.01 121.76 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.561 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mm -100.54 107.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -103.52 141.72 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.3 mt-10 -137.65 123.54 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.57 HG12 ' HG3' ' A' ' 22' ' ' PRO . 66.2 t -102.4 140.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.602 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.64 126.53 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.89 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -73.11 144.56 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -119.97 154.77 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -136.69 -178.93 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -30.61 71.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.68 -40.79 45.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.11 -177.36 38.34 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.79 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.8 -142.17 5.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.5 m -95.5 156.26 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 12.3 p -101.54 125.7 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.5 p -67.79 -174.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 121.92 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.561 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.9 pt20 -48.9 134.04 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.699 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -88.1 159.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -129.35 101.51 6.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 36.1 mt -115.79 101.93 54.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.29 33.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -74.98 152.11 40.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 149.34 36.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -91.16 28.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' HG21 ' A' ' 41' ' ' VAL . 2.3 mt-30 -103.6 109.79 62.65 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 152.41 40.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 123.93 8.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.778 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.56 -174.81 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.7 OUTLIER 56.14 19.41 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.823 HG12 HD11 ' A' ' 104' ' ' ILE . 29.3 t -61.95 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 24' ' ' ASN . 25.3 m -106.3 153.34 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.9 p-90 -128.86 178.48 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 17.6 m-20 -172.79 166.91 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -133.93 116.92 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -151.67 152.95 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' C ' HG23 ' A' ' 32' ' ' THR . 0.6 OUTLIER 43.6 43.27 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.573 ' HA ' HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER 52.86 40.1 30.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' THR . 14.9 ttmm -142.11 161.75 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 69.3 t -115.44 106.32 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 31.6 mt -89.22 111.83 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.818 HD11 HD12 ' A' ' 77' ' ' LEU . 65.4 mt -97.11 146.84 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -154.48 123.75 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 47.6 p90 -135.86 158.04 45.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -177.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -98.57 173.34 6.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.7 t -135.23 116.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -91.66 119.73 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.56 128.08 35.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 pt-20 -56.39 162.17 2.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.6 t -82.25 112.25 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -92.89 -3.44 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.66 -175.34 45.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.783 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 51.8 m-85 -140.67 163.06 33.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 92' ' ' THR . 26.1 mttt -121.82 117.32 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.666 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -89.25 113.54 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 51.2 m-85 -104.94 101.23 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' C ' HG23 ' A' ' 65' ' ' VAL . 15.3 p90 -109.01 135.99 49.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -153.63 140.03 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 p -56.51 166.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 8.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -96.46 178.16 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.5 t -137.02 151.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -138.24 126.96 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.53 135.54 39.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.86 123.9 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -97.21 20.74 10.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 170.66 13.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -87.07 14.92 6.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.8 m -139.49 178.1 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.46 178.46 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.8 mt-10 -148.45 118.5 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.818 HD12 HD11 ' A' ' 36' ' ' LEU . 12.4 mt -117.14 -177.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -99.44 153.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.6 pp -62.16 143.28 95.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.2 Cg_endo -75.03 134.52 17.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -79.98 -66.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.84 157.42 42.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.75 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.414 ' N ' ' HB3' ' A' ' 60' ' ' SER . 1.1 m-20 -49.18 174.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.555 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -128.89 120.79 26.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -99.29 112.97 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -108.8 143.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -137.79 132.72 33.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 38' ' ' TRP . 57.7 t -118.02 132.23 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -140.8 138.84 34.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.783 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -80.65 129.38 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 ' HG3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.09 141.4 48.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.396 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -121.42 -171.06 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -12.04 61.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.32 -35.13 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.71 -151.25 21.69 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -87.31 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 -131.24 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 2.4 m -105.18 143.13 33.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.759 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 3.6 m -92.63 132.19 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.438 ' CB ' HG21 ' A' ' 25' ' ' VAL . 52.9 p -67.86 177.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 122.89 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 36.8 mt-30 -48.28 136.09 12.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.823 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -86.68 161.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.41 98.96 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.0 mt -112.55 98.33 43.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.92 39.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 153.98 42.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -17.0 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m 59.32 17.25 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.771 ' O ' HG21 ' A' ' 41' ' ' VAL . 13.0 mt-30 -88.16 113.77 56.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.1 Cg_endo -75.03 147.46 33.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.01 131.07 13.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.48 -174.55 35.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 t30 48.24 29.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.738 HG12 HD11 ' A' ' 104' ' ' ILE . 58.8 t -66.53 93.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 37' ' ' ASN . 23.3 m -107.58 172.27 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.1 p-90 -147.07 178.34 8.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -167.14 162.53 15.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.86 119.04 14.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.66 145.35 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 49.68 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.543 ' HA ' HD23 ' A' ' 79' ' ' LEU . 26.7 p -151.23 45.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -144.41 -179.36 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.2 t -139.42 103.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' ' 76' ' ' GLU . 54.0 mt -82.76 109.38 16.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -97.02 145.76 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -148.08 142.85 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.641 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.2 p90 -159.11 147.4 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 176.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -100.75 157.46 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.6 t -114.76 114.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -98.6 114.54 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 121.62 26.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.1 pt-20 -63.02 164.74 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 97.6 t -93.13 119.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -101.42 -2.04 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . 179.02 -161.96 28.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.6 m-85 -156.9 160.56 39.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -116.49 116.53 27.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' CB ' HD23 ' A' ' 68' ' ' LEU . 43.1 t -89.42 111.03 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 49.1 m-85 -99.9 100.31 11.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 31.4 p90 -108.81 137.03 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.7 ptm180 -153.08 144.85 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -67.59 165.9 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 mm-40 -95.79 177.0 5.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 4.6 t -134.57 124.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.917 HD21 ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -107.6 137.86 44.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' HD12 ' A' ' 68' ' ' LEU . 20.1 m120 -90.04 137.96 31.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.21 116.54 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -90.53 38.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.96 -175.52 5.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -92.31 11.21 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 -171.98 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB1' HD21 ' A' ' 68' ' ' LEU . . . -171.3 171.91 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HD23 ' A' ' 35' ' ' LEU . 12.0 mt-10 -142.25 120.04 11.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 36' ' ' LEU . 18.6 mt -118.68 178.92 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -93.66 154.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -60.65 139.62 92.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.98 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.7 mp -92.37 83.81 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 79.27 155.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.77 137.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.23 176.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.93 121.54 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.634 HG22 ' HB2' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -98.3 99.82 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -99.61 138.3 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -133.8 122.68 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' A' ' 38' ' ' TRP . 97.0 t -95.71 123.93 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -118.65 141.27 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -98.96 112.79 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -99.15 157.4 16.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.4 p -138.6 -172.11 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -22.99 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -36.62 13.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.09 -160.16 29.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -173.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.62 -127.02 1.87 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 m -106.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' OE1' ' A' ' 88' ' ' GLU . 4.3 p -103.33 141.12 36.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.467 ' CB ' HG21 ' A' ' 25' ' ' VAL . 94.2 p -79.76 177.03 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.953 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 8.7 pt-20 -59.8 119.1 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.4 pt20 -45.75 136.89 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -89.62 149.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -118.79 101.61 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.568 HG12 ' CE3' ' A' ' 27' ' ' TRP . 75.1 mt -110.05 101.64 48.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.0 151.31 39.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 147.22 33.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -91.2 31.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.598 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.0 mt-30 -105.06 108.38 61.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.71 39.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 121.8 6.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.08 -172.18 35.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.74 26.12 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.724 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 104' ' ' ILE . 43.2 t -66.8 91.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' ASN . 22.1 m -106.33 158.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 47.7 p-90 -132.69 178.56 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -167.61 161.12 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.88 119.04 14.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -140.08 146.79 39.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 32' ' ' THR . 70.0 m-20 52.64 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.509 ' HB ' HD23 ' A' ' 79' ' ' LEU . 35.7 p -156.29 45.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 15.5 ttmm -150.92 163.56 38.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 51.1 t -118.81 104.44 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 28.0 mt -85.85 115.22 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 87' ' ' ILE . 43.6 mt -96.98 156.67 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -162.34 123.92 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.603 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 43.4 p90 -137.58 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -168.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.52 162.63 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.8 t -124.23 114.05 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -98.02 112.01 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -100.85 132.29 46.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.41 162.11 13.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 62.2 t -82.33 107.89 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 p -86.57 -5.77 59.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 50' ' ' VAL . . . 177.12 -171.08 43.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.874 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 31.7 m-85 -144.17 157.14 44.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HB3' HG13 ' A' ' 67' ' ' VAL . 13.8 mttt -119.4 118.6 31.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 68' ' ' LEU . 37.8 t -91.63 120.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 23.8 m-85 -107.34 100.86 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.562 ' O ' HG23 ' A' ' 65' ' ' VAL . 23.0 p90 -108.92 136.14 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -155.52 138.23 15.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 83' ' ' GLU . 13.4 m -56.6 169.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.6 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -103.14 167.86 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 9.7 t -127.08 137.77 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -116.48 133.95 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.29 132.27 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -155.75 128.57 7.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -94.94 49.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.92 179.74 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -97.56 11.54 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.591 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 27.4 m -135.01 179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.78 -179.89 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.542 ' C ' HD22 ' A' ' 77' ' ' LEU . 36.2 mt-10 -148.91 116.24 6.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.4 mm? -108.55 -178.42 3.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.57 154.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.4 pp -58.86 146.3 76.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.4 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -76.86 -56.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 81' ' ' ILE . 2.4 mttt -151.14 -81.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HB3' HG22 ' A' ' 59' ' ' THR . 3.7 mt-10 -41.68 142.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . 32.3 m-20 -48.34 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.651 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.8 t80 -133.26 121.3 22.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.3 mp -100.58 118.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -113.22 137.01 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.4 mt-10 -132.55 125.1 29.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.12 136.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -151.14 127.93 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -69.33 157.01 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.62 148.46 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 49' ' ' GLU . 33.1 p -130.21 -174.52 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -21.67 66.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.47 -40.22 13.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.99 -145.35 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 1.1 p-10 -91.17 -177.44 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.35 -138.84 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 10.4 m -97.39 151.91 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.491 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 7.9 m -101.0 128.52 47.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 25' ' ' VAL . 85.5 p -72.14 163.26 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 6.2 pt-20 -47.31 119.75 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.659 ' HB2' HG23 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -50.12 138.91 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -86.96 161.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -131.38 99.44 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.543 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 12.2 mt -112.08 97.13 37.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.98 7.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.4 Cg_endo -74.99 150.99 39.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.814 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.04 139.72 24.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 p -88.44 37.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -113.87 109.45 50.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.99 42.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.56 -175.86 40.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.99 30.12 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 104' ' ' ILE . 66.9 t -69.01 91.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 16.1 m -109.12 170.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 63.9 p-90 -147.81 178.3 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -163.53 160.43 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.1 122.42 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 t -150.88 163.75 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.504 ' C ' HG23 ' A' ' 32' ' ' THR . 25.0 m-20 45.72 -93.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.682 ' HB ' HD23 ' A' ' 79' ' ' LEU . 37.2 p -156.59 43.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.771 ' HD2' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -152.31 167.86 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.39 112.19 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.771 HD11 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -89.18 127.18 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 HG11 ' A' ' 55' ' ' VAL . 37.4 mt -108.03 151.33 25.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -155.44 125.89 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.5 p90 -145.42 152.65 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 178.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -97.65 164.48 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 4.3 t -123.33 118.04 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -112.92 115.27 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.814 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -96.33 122.86 39.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -61.46 163.31 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.575 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 73.7 t -89.12 130.66 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.7 p -113.48 -7.72 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.53 -165.92 31.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 65.2 m-85 -154.3 165.08 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 69.9 mttt -127.76 120.77 28.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.664 ' HB ' HD22 ' A' ' 68' ' ' LEU . 38.1 t -92.98 101.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 67' ' ' VAL . 55.0 m-85 -89.14 100.42 13.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 19.8 p90 -109.11 136.12 49.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -158.23 132.46 8.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.64 HG22 ' HB3' ' A' ' 83' ' ' GLU . 44.2 m -59.88 167.09 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 84' ' ' ASP . 2.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.7 mp0 -95.81 177.24 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 56' ' ' PHE . 54.2 t -141.47 145.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.31 120.47 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.82 124.67 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -142.33 131.69 23.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.5 -7.43 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 173.19 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -89.36 13.52 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -133.27 -176.62 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -165.71 167.66 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 35' ' ' LEU . 2.1 mp0 -140.13 116.84 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.95 -178.27 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.36 154.22 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 32' ' ' THR . 3.0 pp -47.28 144.76 4.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.91 22.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.678 HD11 ' CD1' ' A' ' 79' ' ' LEU . 14.3 mm -109.66 86.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 64.89 156.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.64 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.3 mt-10 60.91 140.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 m-20 -59.46 167.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.604 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -118.22 121.44 40.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -98.73 101.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -100.34 145.65 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -140.06 122.69 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CG ' ' A' ' 38' ' ' TRP . 46.6 t -93.49 134.28 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.4 mtmt -136.76 147.24 46.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -103.58 131.44 50.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.479 HG23 ' CA ' ' A' ' 53' ' ' TYR . 2.6 p -97.98 148.16 23.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.6 p -138.21 -173.1 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -16.08 62.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.44 -34.81 6.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.3 -129.06 2.27 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 178.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.22 -128.75 3.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -99.72 146.81 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.382 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.2 m -98.37 114.23 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.7 p -52.03 171.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 125.1 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 30.2 mt-30 -47.88 134.07 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.742 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -91.63 135.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -107.32 100.02 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 27' ' ' TRP . 20.6 mt -113.92 103.92 55.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.18 37.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.15 40.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.988 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.99 140.81 25.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -89.03 34.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.36 110.01 41.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.41 41.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.99 127.06 10.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.66 -172.74 36.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.2 t30 51.1 25.7 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.636 HG22 ' HB2' ' A' ' 38' ' ' TRP . 46.2 t -65.87 92.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 37' ' ' ASN . 21.4 m -108.91 154.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.602 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.8 p-90 -127.79 178.37 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -171.75 164.5 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.91 119.24 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.5 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -142.64 157.63 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' C ' HG23 ' A' ' 32' ' ' THR . 17.3 m-20 49.72 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.654 ' HA ' HD23 ' A' ' 79' ' ' LEU . 35.9 p -156.63 43.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -152.03 178.35 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 40.3 t -122.33 108.3 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 30' ' ' THR . 34.1 mt -82.17 107.49 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 77' ' ' LEU . 75.7 mt -97.1 149.52 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -152.88 143.6 22.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.636 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.3 p90 -160.31 151.36 19.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.035 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -176.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.62 161.46 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -123.84 117.46 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -108.32 129.83 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.988 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 19.1 mp0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.72 133.61 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -63.33 162.7 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 72.2 t -89.07 120.02 37.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 p -103.4 -6.22 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.32 -169.3 38.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 78.8 m-85 -149.15 164.24 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.977 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 27.4 mttt -122.2 117.16 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.662 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -90.23 109.52 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 44.1 m-85 -99.58 100.03 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 17.0 p90 -109.48 136.21 49.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -156.7 141.52 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 60' ' ' SER . 25.6 m -56.36 173.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 59' ' ' THR . 59.3 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt-30 -106.03 155.69 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 32.1 t -113.98 144.38 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.662 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -128.57 132.65 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.77 126.86 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -142.01 114.6 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.46 46.43 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -178.63 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.2 p -95.41 6.3 49.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 p -128.22 177.7 6.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.55 168.93 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.4 mt-10 -144.64 121.54 11.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -118.69 -178.22 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.76 154.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 32' ' ' THR . 3.7 pp -63.08 148.38 92.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 155.15 43.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.63 -66.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' GLU . 10.7 mttt -141.07 -85.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -37.84 140.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -48.06 174.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.609 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.96 121.3 29.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.36 101.46 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -100.66 143.73 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -138.41 122.23 17.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG11 ' CG ' ' A' ' 38' ' ' TRP . 58.4 t -93.19 134.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 2.7 mttm -131.79 152.53 50.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -109.33 130.31 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.49 HG23 ' CA ' ' A' ' 53' ' ' TYR . 5.1 p -100.57 151.18 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.1 p -138.52 -170.42 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -17.52 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.37 7.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.171 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.4 -126.93 1.66 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.47 179.41 5.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.91 -132.66 3.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -104.32 153.39 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 28.6 p -101.38 126.81 48.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.409 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 86.8 p -67.25 168.18 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.63 126.36 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.463 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 25.5 mt-30 -51.27 140.16 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -93.11 160.73 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -132.23 103.58 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.498 HG12 ' CD2' ' A' ' 27' ' ' TRP . 13.1 mt -113.15 96.23 38.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.09 9.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.31 39.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.0 139.47 24.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m -89.15 34.45 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -117.67 109.37 41.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.79 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 124.98 9.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.12 -172.7 37.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' HG13 ' A' ' 26' ' ' VAL . 2.5 t30 51.64 27.1 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 104' ' ' ILE . 38.6 t -67.19 92.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 17.1 m -108.26 164.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 54.9 p-90 -140.87 178.28 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -168.99 162.35 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.59 119.91 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.72 145.83 38.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.47 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' C ' HG23 ' A' ' 32' ' ' THR . 35.5 m-20 52.74 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 31' ' ' ASP . 35.5 p -155.48 44.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 177.21 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 49.0 t -131.91 103.55 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 46.8 mt -82.51 112.45 19.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 HG21 ' A' ' 87' ' ' ILE . 25.7 mt -97.13 155.69 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -161.51 123.29 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CD1' HG11 ' A' ' 89' ' ' VAL . 46.8 p90 -142.98 149.04 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -107.28 161.74 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.82 121.13 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -113.02 114.69 27.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.754 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.9 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -105.51 127.09 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.763 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -61.85 166.03 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.887 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 49.8 t -94.24 120.16 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -96.26 -16.82 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -171.46 -160.1 19.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.887 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.4 m-85 -157.16 161.94 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 70.1 mttt -122.01 116.97 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 32.3 t -89.29 103.0 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.7 m-85 -89.39 100.99 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.503 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 24.9 p90 -110.45 136.74 49.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.7 ptm180 -152.73 154.02 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.488 HG21 ' OE2' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -76.59 165.8 24.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 3.9 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 65' ' ' VAL . 7.8 mt-30 -95.84 177.61 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 23.1 t -138.82 140.84 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.38 123.12 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.37 115.2 18.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.443 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -131.31 138.14 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -107.51 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -165.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -107.32 2.5 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 p -124.42 -172.64 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.39 173.23 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.576 ' C ' HD22 ' A' ' 77' ' ' LEU . 20.9 mt-10 -143.87 115.82 8.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.1 mm? -110.0 -177.99 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.04 175.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.68 151.64 80.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.87 93.81 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 57.92 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 59' ' ' THR . 2.3 pt-20 -38.74 141.75 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.25 171.22 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.646 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.1 t80 -129.41 121.83 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -100.11 103.77 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.591 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -100.04 141.71 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -137.49 122.15 18.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 38' ' ' TRP . 57.8 t -92.14 136.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 1.6 mtmt -136.85 144.69 43.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -97.97 140.22 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 53' ' ' TYR . 52.4 p -107.18 144.16 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 49' ' ' GLU . 5.1 p -138.5 -172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -20.01 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.18 -36.26 7.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -141.46 8.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.24 167.17 21.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.74 -126.27 3.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -99.75 147.73 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.8 m -98.62 115.93 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.6 p -55.55 162.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 4.7 pt-20 -50.98 121.83 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.604 ' HB2' HG22 ' A' ' 86' ' ' ILE . 1.9 pt20 -47.98 135.75 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.706 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -88.12 156.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -127.53 102.2 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.3 mt -114.04 94.27 33.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.13 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.4 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.0 163.58 35.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.786 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.04 -18.85 18.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m 59.12 15.68 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.2 tt0 -102.26 112.07 65.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.68 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CG ' HG12 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.03 138.12 22.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.3 -171.87 25.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.0 t30 48.39 24.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD11 ' A' ' 104' ' ' ILE . 37.0 t -64.37 93.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 24' ' ' ASN . 26.2 m -106.1 166.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.672 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -143.9 178.33 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 8.3 m120 -167.83 162.94 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.13 110.3 7.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 35' ' ' LEU . 2.8 t -152.6 163.39 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.727 ' C ' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER 46.91 26.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 65.88 37.08 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.5 ttmm -143.24 159.93 41.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 53.4 t -112.57 113.6 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.67 ' N ' HD22 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -97.34 112.86 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.802 HD11 HD12 ' A' ' 77' ' ' LEU . 51.6 mt -97.22 146.32 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 10.9 m-80 -153.66 131.56 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . 49.3 p90 -145.93 154.58 42.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -175.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.3 164.71 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.4 t -127.61 114.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -110.12 118.63 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -91.42 126.89 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 93' ' ' THR . 3.2 pt-20 -66.84 165.18 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.739 ' CG1' ' HB1' ' A' ' 91' ' ' ALA . 77.3 t -85.28 123.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -94.58 -14.35 25.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.462 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.9 -154.08 11.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' HA ' HG23 ' A' ' 92' ' ' THR . 78.5 m-85 -156.79 167.03 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HB3' HG13 ' A' ' 67' ' ' VAL . 43.4 mttt -135.85 117.87 15.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.3 t -90.26 113.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 36.5 m-85 -99.84 100.22 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.674 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 p90 -109.61 135.91 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.516 HH12 HG21 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -156.92 139.83 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' CB ' ' A' ' 83' ' ' GLU . 1.7 m -62.14 168.38 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 57' ' ' TYR . 5.1 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.1 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 7.6 t -121.26 150.78 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.13 131.85 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.06 110.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -88.5 48.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.25 -179.63 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -95.97 7.49 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -131.07 176.5 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.41 178.01 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HG2' HD12 ' A' ' 35' ' ' LEU . 52.8 mt-10 -150.02 122.66 8.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.802 HD12 HD11 ' A' ' 36' ' ' LEU . 19.6 mt -118.65 -178.26 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -103.18 153.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 HD23 ' CA ' ' A' ' 32' ' ' THR . 4.2 pp -61.47 142.1 94.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 165.93 30.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.87 -64.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 159.88 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.434 ' CB ' HG22 ' A' ' 59' ' ' THR . 3.9 mt-10 61.72 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -53.2 169.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.488 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -121.56 122.01 38.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.9 mm -100.27 112.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -108.83 137.73 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -132.85 127.52 34.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.48 HG12 ' CG ' ' A' ' 22' ' ' PRO . 91.6 t -107.25 141.58 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.647 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -154.14 127.94 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.03 153.63 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 53' ' ' TYR . 82.8 p -112.07 140.28 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 49' ' ' GLU . 3.1 p -131.64 169.3 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.45 -16.83 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.99 -38.3 8.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 93' ' ' THR . . . 152.84 170.88 19.68 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -41.49 151.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.13 -132.19 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 6.4 m -101.69 154.42 18.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 p -100.81 110.09 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 9.2 p -52.98 178.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.95 121.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.636 ' HB2' HG22 ' A' ' 86' ' ' ILE . 5.1 pt20 -48.53 137.02 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.759 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -88.12 160.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -128.04 102.36 6.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.572 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.7 mt -119.22 97.92 50.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.05 38.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.835 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.97 141.77 27.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.56 34.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -115.31 109.34 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.5 42.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.98 128.22 11.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.16 -179.77 34.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 58.63 24.44 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 104' ' ' ILE . 21.4 t -66.23 92.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 24' ' ' ASN . 19.2 m -110.21 154.72 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 65.0 p-90 -125.65 178.81 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.04 168.2 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.33 117.01 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 1.019 HG22 HD21 ' A' ' 35' ' ' LEU . 5.7 t -130.06 164.01 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.5 m-20 41.69 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.874 ' HA ' HD11 ' A' ' 79' ' ' LEU . 11.2 p -151.99 43.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.95 -178.3 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 35' ' ' LEU . 24.1 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.89 133.16 53.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 35' ' ' LEU . 25.5 mt -117.2 149.61 40.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.34 122.52 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.598 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -139.9 153.77 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 28.3 pt20 -113.82 146.96 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 t -103.16 113.46 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -108.39 113.19 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' CD ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 m -103.92 132.06 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -68.01 161.41 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.868 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 77.9 t -90.59 126.83 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -108.9 -9.36 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -168.69 -166.77 28.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.868 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.5 m-85 -157.63 164.88 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -124.49 117.5 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HB ' HD22 ' A' ' 68' ' ' LEU . 26.5 t -90.54 99.56 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 22.1 m-85 -86.89 100.89 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 27.9 p90 -109.82 135.69 50.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.4 ptm180 -157.01 133.34 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' CB ' ' A' ' 83' ' ' GLU . 2.7 m -58.54 165.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 40.0 mt-30 -100.48 169.91 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 t -126.62 137.49 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -122.16 127.64 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.69 129.51 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -146.95 114.45 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -89.95 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -150.68 -175.87 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -100.33 6.6 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.56 -179.0 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.25 172.02 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.632 ' C ' HD22 ' A' ' 77' ' ' LEU . 67.6 mt-10 -148.85 120.04 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.2 mm? -109.42 -178.13 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.94 -168.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 32' ' ' THR . 31.2 mt -96.22 142.87 25.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.01 131.38 14.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -69.87 -69.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.7 mttt -132.12 -91.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -37.16 141.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.3 t80 -130.67 121.44 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -100.1 109.72 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -106.42 145.25 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.6 mt-10 -139.01 122.19 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -91.96 127.96 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 7.3 mttm -126.12 152.06 46.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -106.45 147.62 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 53' ' ' TYR . 14.1 p -122.03 143.85 49.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.436 HG21 ' HD3' ' A' ' 18' ' ' PRO . 69.0 p -138.05 -168.83 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -13.1 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.67 -22.93 22.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 137.46 -139.58 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.43 -176.85 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -137.12 -137.35 3.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.8 m -96.39 155.57 16.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 12.5 p -104.08 131.48 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 178.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.168 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 125.57 24.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 11.3 mt-30 -51.41 132.67 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -87.46 160.27 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -132.94 104.1 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CE3' ' A' ' 27' ' ' TRP . 5.8 mt -115.53 105.32 52.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.42 42.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.58 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.04 142.84 28.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -89.43 27.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -117.62 110.42 40.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 162.02 37.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -74.98 124.27 8.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.32 -173.31 41.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.13 30.38 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 104' ' ' ILE . 88.0 t -68.24 91.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG23 HD22 ' A' ' 37' ' ' ASN . 19.6 m -106.36 -176.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CD1' HG21 ' A' ' 104' ' ' ILE . 51.9 p-90 -158.59 178.39 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.06 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -163.32 160.07 23.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.45 120.89 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.809 HG22 HD21 ' A' ' 35' ' ' LEU . 9.4 t -145.48 162.71 36.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.468 ' C ' HG23 ' A' ' 32' ' ' THR . 4.7 m-20 39.11 -93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.1 p -153.27 49.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 176.91 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 38.3 t -133.61 104.68 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -82.32 119.44 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 87' ' ' ILE . 35.6 mt -104.03 149.83 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.514 HD22 HG23 ' A' ' 26' ' ' VAL . 3.4 m-80 -154.67 128.69 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.8 p90 -147.11 150.73 35.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -177.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -104.93 163.33 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -120.81 123.35 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -113.4 117.43 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 47' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.739 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -84.16 140.33 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.678 ' O ' HG22 ' A' ' 93' ' ' THR . 2.9 pt-20 -68.59 161.69 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.869 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 63.2 t -91.62 124.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.0 p -107.24 -9.99 15.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.38 -177.03 43.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.869 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.1 m-85 -146.49 159.01 43.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HD3' HG11 ' A' ' 67' ' ' VAL . 71.4 mttt -117.55 121.91 42.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.9 t -93.44 100.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG22 ' A' ' 67' ' ' VAL . 66.1 m-85 -88.65 101.17 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.596 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 26.4 p90 -111.39 136.05 51.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -156.81 141.59 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.8 m -59.4 172.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.8 p . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 15.2 mt-30 -99.2 178.15 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.678 HG22 ' CE1' ' A' ' 56' ' ' PHE . 49.0 t -136.03 147.1 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.3 123.52 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 123.26 26.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 122.39 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -92.96 25.15 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -134.44 -175.37 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.03 7.44 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.2 p -129.56 -174.68 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.19 174.99 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' C ' HD22 ' A' ' 77' ' ' LEU . 38.6 mt-10 -144.97 115.86 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.71 -178.45 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.18 157.71 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -66.2 142.13 97.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.94 129.19 12.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.768 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.6 mp -87.89 -61.53 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.5 150.23 51.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 65.47 142.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -53.86 175.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -129.02 121.52 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.726 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -98.85 114.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.19 136.29 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -131.23 123.27 28.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.592 HG11 ' CD1' ' A' ' 38' ' ' TRP . 43.5 t -93.12 138.72 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -139.52 146.44 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.14 143.8 28.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 53' ' ' TYR . 32.9 p -112.34 142.94 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -137.95 173.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -11.09 47.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.57 -36.37 5.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.14 -136.54 4.6 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.25 178.52 5.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.25 -141.02 5.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.7 m -98.66 148.41 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.4 p -95.71 123.54 39.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -69.01 162.14 27.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 4.8 pt-20 -47.93 120.03 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.726 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.3 pt20 -49.34 137.67 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -86.89 150.78 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -119.71 102.51 8.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 27' ' ' TRP . 15.0 mt -112.92 98.9 46.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.02 157.24 42.82 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 7.0 mtp180 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.6 165.91 35.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.5 164.78 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.2 -177.18 23.94 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.03 145.0 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -149.06 -61.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.49 143.92 8.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.7 m -156.19 130.71 8.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 110.365 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -46.26 165.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -161.34 173.96 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 m -117.85 171.37 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -108.8 158.55 17.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -151.47 142.99 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.36 164.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -70.18 -176.06 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.8 p -133.43 153.26 80.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 170.5 20.28 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.498 1.788 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.461 ' O ' ' CB ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.98 -36.86 2.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.494 1.787 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 82.59 -5.67 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.5 tt0 -86.42 118.25 70.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.97 42.9 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.93 126.36 9.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.0 -178.74 38.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.6 t30 54.54 26.65 7.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 104' ' ' ILE . 94.6 t -64.3 92.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 24' ' ' ASN . 28.5 m -106.7 159.93 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.9 p-90 -136.32 178.52 7.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.012 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -167.24 162.68 15.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.97 119.28 14.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -143.42 159.37 42.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' C ' HG23 ' A' ' 32' ' ' THR . 47.4 m-20 46.38 -94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 30' ' ' THR . 50.2 p -153.7 42.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.508 ' HD2' HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -149.25 174.0 12.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.8 t -123.87 106.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 HD21 ' HD2' ' A' ' 33' ' ' LYS . 36.7 mt -82.36 108.45 15.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.929 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -96.84 149.16 22.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.87 139.62 18.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.55 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -155.93 152.91 28.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.71 -179.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -104.0 160.68 14.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 18.8 t -122.44 122.73 66.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -115.0 120.13 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.855 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . -76.67 147.53 37.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.416 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -73.61 -170.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 10.5 tt0 -58.65 133.47 55.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 16.9 t-20 85.59 -46.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.855 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 1.8 mp0 -52.8 155.52 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 m -86.8 131.52 34.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -71.02 162.65 29.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 60.3 t -90.63 117.81 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -101.58 -7.28 22.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -179.09 -177.79 47.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.1 m-85 -143.32 160.65 40.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 67' ' ' VAL . 9.8 mttt -114.87 116.85 29.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' HB ' HD22 ' A' ' 68' ' ' LEU . 23.5 t -89.52 101.1 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.688 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.9 m-85 -89.16 100.69 13.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 29.1 p90 -109.95 136.13 49.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -155.3 149.6 25.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 60' ' ' SER . 87.6 m -63.02 171.02 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 59' ' ' THR . 5.0 p -44.05 -27.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.04 -81.54 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.98 149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -87.83 -60.97 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -125.77 114.61 18.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 p -61.99 150.82 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.7 mt-30 -98.58 162.69 13.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.688 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 10.0 t -121.31 136.23 58.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.83 131.8 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -82.34 132.74 35.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.07 115.46 7.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -90.62 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -158.26 -177.69 6.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -94.26 5.85 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.3 p -126.16 178.36 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -166.77 170.46 12.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.2 mt-10 -143.94 116.77 8.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.929 HD12 HD11 ' A' ' 36' ' ' LEU . 16.8 mt -111.59 -177.94 3.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -96.89 155.51 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -54.42 146.09 34.71 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 122.94 7.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 mp -91.97 84.9 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 156.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 63.56 136.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.13 168.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.496 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -124.13 121.68 35.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.986 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.708 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.1 mm -98.05 100.59 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -100.01 138.19 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -133.76 126.01 29.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -97.36 128.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -125.18 135.27 52.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -96.34 116.58 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 t -105.46 156.57 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.8 p -137.35 -171.45 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -13.48 58.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -92.06 -36.24 6.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 153.96 -160.48 29.41 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -179.72 0.55 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.76 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.91 -128.64 2.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 m -105.79 153.47 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 110.397 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.413 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 8.0 p -101.91 124.52 47.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.0 p -59.38 -158.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.97 122.09 31.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.708 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.6 pt20 -44.61 135.25 4.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.325 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -91.97 144.75 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -114.13 104.15 11.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.583 HG12 ' CE3' ' A' ' 27' ' ' TRP . 47.7 mt -111.63 111.91 54.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.98 143.0 28.6 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -50.46 -177.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.99 130.16 36.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 110' ' ' THR . 72.2 p -47.16 169.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -126.27 80.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -127.47 164.38 22.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -83.37 120.78 5.28 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 170.56 20.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 p 48.27 83.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.28 71.26 0.87 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.959 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -117.73 169.98 9.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.3 t -122.05 99.2 6.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.62 -170.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.8 m -121.47 82.89 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 0.744 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 45.56 81.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.95 -151.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -128.92 143.5 50.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.1 m -107.19 158.09 7.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -63.74 158.04 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.55 HG23 HG22 ' A' ' 12' ' ' THR . 12.6 m -131.89 -46.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.55 HG22 HG23 ' A' ' 11' ' ' VAL . 11.8 t -159.72 107.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.419 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.1 p -134.01 151.48 51.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -68.5 167.94 13.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -85.31 -170.52 3.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 p -142.92 155.68 62.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.99 153.18 41.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.961 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.96 137.79 22.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.772 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.89 38.57 0.85 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.952 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.494 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.5 tt0 -116.18 111.02 42.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 154.78 43.01 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.01 123.11 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.511 1.795 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.93 -173.31 39.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.9 t30 51.8 28.93 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 104' ' ' ILE . 46.1 t -68.84 91.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 37' ' ' ASN . 18.4 m -108.9 160.83 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.69 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 53.9 p-90 -136.05 178.54 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 107.966 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -167.31 165.07 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.58 118.72 14.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.17 158.09 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 32' ' ' THR . 14.1 m-20 50.11 -92.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.506 HG23 ' C ' ' A' ' 31' ' ' ASP . 34.7 p -156.87 42.67 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.405 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' CD ' HD21 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -152.56 174.72 13.58 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.6 t -118.12 107.41 21.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 76' ' ' GLU . 18.8 mt -82.5 113.22 20.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD11 HG21 ' A' ' 87' ' ' ILE . 24.3 mt -96.97 155.27 16.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -162.69 123.17 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.583 ' CD1' HG11 ' A' ' 89' ' ' VAL . 44.2 p90 -139.56 169.74 17.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -171.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -109.34 162.53 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG13 ' HG2' ' A' ' 20' ' ' GLN . 15.0 t -120.37 117.7 54.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -107.14 119.37 39.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.961 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -84.66 124.5 31.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -77.96 166.93 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 8.0 tt0 -37.55 134.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 16.8 t-20 90.91 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -92.7 147.84 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 3.6 m -84.42 134.74 34.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -65.7 162.04 19.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.528 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.1 t -90.79 122.54 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.3 p -96.62 -10.77 26.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.72 -164.32 32.16 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 91' ' ' ALA . 63.2 m-85 -150.0 164.19 36.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.746 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 78.7 mttt -125.15 117.31 23.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.685 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -88.88 99.74 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 64.7 m-85 -87.59 100.82 13.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 28.4 p90 -111.04 135.74 51.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 6.0 ptm180 -156.42 143.5 18.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.5 HG22 ' HB3' ' A' ' 83' ' ' GLU . 34.0 m -61.41 170.9 1.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.413 ' H ' HG22 ' A' ' 59' ' ' THR . 0.4 OUTLIER -55.52 -21.51 17.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.03 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -156.67 86.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -122.64 143.37 49.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.01 -66.01 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -135.56 158.4 44.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.4 p -90.81 152.79 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.542 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 2.1 mt-30 -98.41 175.18 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.1 t -136.9 133.66 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.685 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -118.73 128.53 54.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.3 133.92 36.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.1 t -153.53 123.76 7.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.365 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -92.52 21.96 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -128.28 -170.77 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.421 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -107.06 11.17 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.378 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.2 p -130.91 177.7 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.946 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.66 175.79 8.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' C ' HD22 ' A' ' 77' ' ' LEU . 47.1 mt-10 -148.09 116.91 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.43 -178.06 3.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 m -88.35 -171.0 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -99.66 132.8 22.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -75.04 114.08 3.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.409 HD12 ' H ' ' A' ' 81' ' ' ILE . 4.0 mp -66.19 -53.29 38.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -140.56 164.25 30.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER 61.59 141.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.82 176.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -126.89 121.56 32.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.555 HG22 ' HB2' ' A' ' 103' ' ' GLN . 2.3 mm -99.85 102.31 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.631 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -101.24 141.11 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -136.07 122.71 20.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 38' ' ' TRP . 52.1 t -94.0 131.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -132.5 146.26 51.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.32 140.99 31.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 51.9 p -106.37 145.6 31.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.441 HG21 ' CD ' ' A' ' 18' ' ' PRO . 36.2 p -138.37 -175.49 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.63 -22.36 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.91 -33.14 16.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.46 -131.31 3.33 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.47 -174.88 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.307 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.43 -127.96 2.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 m -103.08 148.28 25.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.4 m -102.85 117.36 34.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.425 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.1 p -52.59 -174.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 121.92 19.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.555 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.8 pt20 -47.42 135.79 10.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.79 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -87.55 152.22 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -121.99 101.94 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.0 mt -113.65 99.76 50.53 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -75.04 172.33 16.57 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -37.63 153.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -78.19 140.21 17.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.403 HG23 ' H ' ' A' ' 110' ' ' THR . 55.3 p -51.1 162.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.9 82.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.59 -56.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.24 86.81 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.33 4.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.5 m 61.21 114.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.021 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.04 91.83 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -111.3 159.65 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.949 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.66 136.76 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.5 145.46 49.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.96 147.3 27.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.767 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.0 m 56.08 168.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.06 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.91 95.94 0.1 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.961 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -138.15 156.27 47.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.95 159.85 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -155.36 139.7 16.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.5 139.48 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.3 p -134.69 129.83 35.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 m 48.34 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.01 171.7 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -75.59 -175.34 2.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -137.14 154.55 75.89 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.2 42.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.954 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 144.71 30.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -89.93 29.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 41' ' ' VAL . 2.9 tt0 -112.99 112.2 50.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 159.15 41.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.97 128.32 11.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.91 -175.19 29.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.8 OUTLIER 53.46 21.98 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.753 HG12 HD11 ' A' ' 104' ' ' ILE . 42.4 t -64.32 90.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 24' ' ' ASN . 21.4 m -106.61 159.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.711 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.6 p-90 -132.05 178.54 6.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 108.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -169.17 162.42 10.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 109' ' ' ILE . . . -137.54 119.06 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.72 144.66 43.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' C ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 52.44 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.519 ' HA ' HD23 ' A' ' 79' ' ' LEU . 75.1 p -153.6 46.63 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.37 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.22 179.6 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 47.5 t -134.95 103.94 4.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 53.5 mt -82.61 108.41 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.984 HD11 HD12 ' A' ' 77' ' ' LEU . 86.6 mt -96.62 147.7 23.61 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 1.9 m-80 -149.63 143.75 25.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.695 ' HB2' HG22 ' A' ' 25' ' ' VAL . 42.7 p90 -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -178.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -106.93 155.3 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.259 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 12.4 t -115.51 112.89 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -103.57 120.0 40.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.954 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -89.81 135.28 33.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' GLU . 3.7 ptp -88.52 178.52 6.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 0.6 OUTLIER -37.47 137.59 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.284 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 4.4 t-20 87.01 -48.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -79.38 133.27 36.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.54 137.35 42.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -65.82 162.56 18.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.668 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.5 t -90.47 118.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.9 p -94.34 -16.55 23.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.17 -169.32 36.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.668 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.3 m-85 -145.48 173.83 11.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.746 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 43.4 mttt -128.41 124.13 35.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.645 ' HB ' HD22 ' A' ' 68' ' ' LEU . 41.7 t -95.79 96.16 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.71 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.1 m-85 -87.78 100.59 12.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 25.6 p90 -110.25 136.77 48.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -155.74 144.64 20.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 83' ' ' GLU . 85.5 m -58.16 168.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p -42.91 -29.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.011 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.63 85.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -106.17 145.98 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.76 -67.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -123.21 113.23 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.1 p -62.24 153.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 60.6 mt-30 -96.11 178.03 5.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.71 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 20.0 t -141.14 138.44 33.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.645 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -125.57 128.9 48.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -77.29 139.6 39.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.05 117.75 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.374 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -89.91 18.15 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 -172.54 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -102.13 7.49 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.16 -171.09 2.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.55 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -173.1 171.39 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HG2' HD23 ' A' ' 35' ' ' LEU . 17.7 mt-10 -143.59 116.0 8.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD12 HD11 ' A' ' 36' ' ' LEU . 14.3 mt -112.36 -178.3 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -96.18 153.38 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.0 pp -61.99 144.0 94.29 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.1 Cg_endo -75.02 129.08 11.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.647 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -77.57 -56.47 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 83' ' ' GLU . 4.8 mttt -145.65 163.87 33.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.6 mt-10 60.53 144.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -53.08 175.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.655 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.04 121.41 23.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.828 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -100.22 105.63 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -104.48 133.32 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -128.05 128.2 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG11 ' CG ' ' A' ' 38' ' ' TRP . 57.9 t -101.87 125.25 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 5.8 mttm -122.08 146.63 47.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -94.64 141.75 28.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.53 HG23 ' HA ' ' A' ' 53' ' ' TYR . 30.7 p -114.48 148.29 38.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 49' ' ' GLU . 35.0 p -138.74 -168.88 2.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.66 -12.16 60.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -95.51 -35.66 5.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.427 1.079 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.7 -136.35 4.68 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -172.56 4.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -140.33 -136.46 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.4 m -93.36 153.74 18.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.371 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.421 ' HB3' ' CE ' ' A' ' 90' ' ' LYS . 5.1 p -105.81 128.23 53.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 88.5 p -70.33 165.91 21.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.15 123.7 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.828 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.6 pt20 -51.84 136.17 28.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.753 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -87.46 137.77 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -108.1 100.92 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.513 HG12 ' CE3' ' A' ' 27' ' ' TRP . 84.3 mt -112.18 97.78 40.31 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.5 Cg_endo -74.97 162.62 36.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.474 1.776 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 107' ' ' PRO . 11.0 mtp180 -38.52 141.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -76.06 139.31 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -53.8 174.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.51 86.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 p -113.05 83.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.81 -92.8 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.052 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.44 31.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 148.26 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.1 p -68.68 155.72 39.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.8 116.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.29 173.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.13 175.37 42.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -170.59 88.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.13 160.37 2.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.8 129.28 1.93 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -167.14 121.93 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.389 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.4 153.46 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -171.6 121.58 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 14' ' ' LYS . 4.1 p -168.1 68.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.945 HG23 HG22 ' A' ' 13' ' ' THR . 6.0 t -69.69 -36.79 76.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.432 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.945 HG22 HG23 ' A' ' 12' ' ' THR . 0.6 OUTLIER -171.01 58.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.415 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.782 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -178.58 133.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -96.54 -171.19 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.4 p -134.84 152.64 77.81 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.41 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -21.39 15.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.759 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m 57.86 16.65 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -107.02 114.88 61.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.38 42.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HG2' ' CG1' ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.01 132.96 15.99 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -98.81 -173.42 31.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 26' ' ' VAL . 4.1 t30 50.28 26.31 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG12 HD11 ' A' ' 104' ' ' ILE . 42.0 t -63.07 96.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 37' ' ' ASN . 34.4 m -106.51 149.95 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.7 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -131.94 178.92 6.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.1 m-20 -171.24 167.22 7.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -137.88 112.56 8.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 33' ' ' LYS . 2.8 t -152.15 161.31 42.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.518 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 43.17 39.51 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 54.67 40.41 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -141.37 178.99 7.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 54.0 t -130.62 100.5 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 55.3 mt -83.01 106.14 14.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.645 ' CD1' HD12 ' A' ' 77' ' ' LEU . 86.4 mt -96.22 145.55 25.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.545 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -156.31 122.58 5.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.56 ' CD1' HG11 ' A' ' 89' ' ' VAL . 45.8 p90 -134.15 171.43 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.17 -173.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -108.8 155.83 20.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.8 t -118.85 119.65 61.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -117.55 124.22 48.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.815 ' HB1' ' HB3' ' A' ' 47' ' ' GLU . . . -77.7 155.27 31.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 34.2 mtt -93.91 -171.1 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.566 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 17.9 tt0 -53.27 130.08 33.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.566 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 2.5 t-20 87.18 -45.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.815 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 2.2 mp0 -57.76 160.34 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 3.3 m -96.79 138.35 34.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.23 161.17 30.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 78.4 t -87.28 119.3 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -92.02 -12.54 32.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -179.33 -156.96 18.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.8 m-85 -155.96 166.54 33.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 47.2 mttt -126.8 116.81 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -89.58 100.08 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.569 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 43.9 m-85 -88.19 100.99 13.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 65' ' ' VAL . 29.2 p90 -110.76 136.41 49.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -155.79 147.28 22.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 60' ' ' SER . 52.4 m -65.66 172.43 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.514 ' N ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -61.06 -16.56 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.983 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -164.93 72.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.07 -172.47 2.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -82.9 -70.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -139.3 126.06 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 57' ' ' TYR . 11.5 p -59.28 149.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.538 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 4.0 mt-30 -105.02 171.18 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.7 t -124.7 146.25 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.19 130.78 41.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -79.88 135.29 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.56 113.1 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -83.89 52.28 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 179.36 2.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.559 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 30.0 p -94.29 9.46 37.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.419 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -118.98 177.4 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.463 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -176.91 167.7 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 25.5 mt-10 -144.28 117.5 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 36' ' ' LEU . 2.5 mt -114.84 170.96 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 19.7 m -78.41 177.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -80.11 148.27 67.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.77 4.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.1 mp -87.19 84.1 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.4 152.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 64.07 140.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' N ' ' HB3' ' A' ' 60' ' ' SER . 9.0 m-20 -52.94 178.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -134.48 121.7 21.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.53 ' N ' HD13 ' A' ' 86' ' ' ILE . 1.1 mm -100.11 106.69 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -103.42 142.21 17.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -136.41 123.27 21.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.56 HG11 ' CD1' ' A' ' 38' ' ' TRP . 55.3 t -93.73 130.13 43.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.569 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.1 mtmt -126.08 152.07 46.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -111.19 123.68 50.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' CA ' ' A' ' 53' ' ' TYR . 16.5 p -93.34 152.2 19.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.0 p -138.22 -170.72 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.8 -26.13 63.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.87 -37.75 15.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.461 1.101 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.71 -135.03 4.04 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -179.24 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.31 -131.69 3.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -102.44 155.2 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 0.793 . . . . 0.0 110.376 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.4 m -106.45 124.79 50.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.4 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 6.4 p -55.67 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -75.63 124.09 26.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.515 ' HG2' HG22 ' A' ' 86' ' ' ILE . 4.7 mt-30 -47.12 134.66 10.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.7 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -88.18 160.19 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -130.68 100.23 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.558 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.6 mt -114.71 102.41 54.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 165.89 30.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -40.39 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.246 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.428 ' H ' HD12 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -109.61 -172.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.7 p 40.63 47.97 2.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -75.31 -73.08 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 61.2 p -45.6 114.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.83 98.53 0.21 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.38 7.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.7 t -155.68 81.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.4 m -108.03 -59.82 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p 64.48 164.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -155.81 106.84 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.0 179.9 16.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -161.89 169.01 22.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 0.761 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -166.58 -57.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.74 -159.87 17.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 t -154.23 134.67 13.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 110.417 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.4 m -139.21 173.88 10.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 60.25 167.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.01 136.3 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.7 p -104.41 173.61 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.377 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 m -66.6 140.3 57.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 67.88 161.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -71.99 -171.0 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 15.5 p -138.5 152.46 71.14 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.4 Cg_endo -75.0 160.81 39.72 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.435 1.755 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -17.93 19.32 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.77 18.96 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.474 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -104.97 113.97 64.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 156.51 42.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.1 Cg_endo -75.01 132.26 15.2 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.47 -175.22 35.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 48.39 33.05 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.789 HG12 HD11 ' A' ' 104' ' ' ILE . 30.1 t -69.34 92.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 22.5 m -108.4 160.83 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.686 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 43.7 p-90 -134.24 178.64 6.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 107.97 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -167.2 162.29 15.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.98 120.75 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -138.65 145.29 40.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' C ' HG23 ' A' ' 32' ' ' THR . 73.9 m-20 50.8 -90.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.709 ' HA ' HD23 ' A' ' 79' ' ' LEU . 71.9 p -152.31 45.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.08 177.98 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.4 t -133.47 103.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 54.5 mt -82.55 108.7 16.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.808 HD11 HD12 ' A' ' 77' ' ' LEU . 77.6 mt -96.73 143.97 27.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.8 OUTLIER -146.55 139.81 25.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.586 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 48.9 p90 -156.19 154.8 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 179.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -98.8 162.54 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.2 t -124.71 112.34 31.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -108.05 118.93 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.37 142.34 50.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.461 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -97.82 -167.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER 32.13 -142.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -93.58 25.96 3.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 44' ' ' MET . 0.4 OUTLIER -68.44 173.27 5.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -91.1 119.97 31.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.996 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -65.58 165.17 12.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' CG2' HG12 ' A' ' 41' ' ' VAL . 74.6 t -87.3 119.06 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 p -92.62 -12.74 30.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.26 -155.61 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 60.7 m-85 -156.4 159.6 38.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' HD3' HG11 ' A' ' 67' ' ' VAL . 57.3 mttt -123.05 127.82 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.717 ' HB ' HD22 ' A' ' 68' ' ' LEU . 33.1 t -99.72 104.71 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 88' ' ' GLU . 46.4 m-85 -91.73 101.15 13.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.51 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.6 p90 -108.79 135.51 49.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.451 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -159.25 136.27 9.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.05 170.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -17.01 18.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m -148.69 76.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.87 142.17 47.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -57.54 -66.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -129.16 134.37 48.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 11.4 p -73.26 150.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.51 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 14.5 mt-30 -99.91 167.96 10.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.496 HG11 ' HD3' ' A' ' 54' ' ' LYS . 53.0 t -123.46 148.63 27.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.717 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -135.14 128.6 32.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -77.59 130.77 37.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -147.05 111.61 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.423 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -89.43 45.62 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -179.91 8.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -92.96 6.99 45.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.17 -179.35 5.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.586 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -164.86 173.17 12.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 35.3 mt-10 -143.84 115.85 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.808 HD12 HD11 ' A' ' 36' ' ' LEU . 8.7 mt -113.39 -179.36 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.4 m -97.42 156.34 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -71.91 140.07 83.24 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.97 157.49 42.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.5 mm -101.99 -50.52 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -141.12 158.49 43.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.28 142.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.05 177.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -126.5 121.56 32.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -100.58 101.68 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.537 HD11 HD12 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -101.07 142.68 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -137.16 122.59 19.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG11 ' CG ' ' A' ' 38' ' ' TRP . 51.9 t -93.73 132.09 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -130.53 150.64 51.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -106.26 129.48 54.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.48 HG23 ' CA ' ' A' ' 53' ' ' TYR . 32.4 p -94.18 152.33 18.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.439 HG22 ' O ' ' A' ' 49' ' ' GLU . 16.1 p -137.37 -173.48 3.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.11 -18.52 61.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.21 -31.61 7.92 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 93' ' ' THR . . . 153.04 -150.22 21.94 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.92 174.79 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.78 -121.7 2.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 m -111.9 148.63 33.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.446 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 1.1 m -96.27 133.6 40.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.483 ' CB ' HG21 ' A' ' 25' ' ' VAL . 96.2 p -69.96 -166.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 126.96 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' HG3' ' A' ' 88' ' ' GLU . 31.1 mt-30 -53.51 137.62 35.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.789 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -92.71 154.59 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -123.35 107.9 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.618 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 33.3 mt -121.09 98.01 47.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 163.82 34.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? -39.15 132.7 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.472 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -65.72 121.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.48 127.12 10.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.98 -47.3 11.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.6 t -160.03 105.35 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.78 150.68 22.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.2 m 66.83 131.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.37 -60.08 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.64 110.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.965 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 p -162.41 166.47 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.44 152.46 43.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -123.94 132.03 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 0.775 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.8 p -156.23 154.93 31.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.57 118.83 0.78 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -86.41 142.52 28.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 110.388 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 m -125.57 162.84 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 61.72 162.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.9 t 59.98 100.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 13' ' ' THR . 10.5 t -83.43 -48.41 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.408 ' N ' HG23 ' A' ' 12' ' ' THR . 8.9 m 58.7 84.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.421 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 169.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' HG23 ' A' ' 16' ' ' THR . 1.3 mmtp -99.29 -177.4 3.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 p -151.35 155.36 34.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.44 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 148.9 35.85 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.08 140.64 25.47 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.11 34.92 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HG2' HG22 ' A' ' 41' ' ' VAL . 6.2 tt0 -113.74 110.24 49.64 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.61 42.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 129.51 12.39 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.89 -172.67 36.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' O ' HG13 ' A' ' 26' ' ' VAL . 10.6 t30 51.26 26.27 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 ' CG1' HD11 ' A' ' 104' ' ' ILE . 44.7 t -66.48 91.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 18.4 m -107.08 169.5 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.631 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 58.6 p-90 -147.8 178.27 8.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.029 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -170.75 164.42 8.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -135.67 103.97 5.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.639 HG22 HD23 ' A' ' 35' ' ' LEU . 2.1 t -152.5 163.82 38.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.718 ' C ' HG23 ' A' ' 32' ' ' THR . 4.1 m-20 56.32 22.67 6.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.718 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER 66.82 37.09 4.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -151.9 173.45 14.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 78' ' ' VAL . 51.7 t -115.01 116.24 51.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.756 ' N ' HD22 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -96.71 111.56 23.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.554 HD11 HD12 ' A' ' 77' ' ' LEU . 45.5 mt -97.29 145.0 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -152.02 130.19 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.4 p90 -146.98 154.1 40.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -175.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' HG2' ' A' ' 20' ' ' GLN . 2.9 t -109.92 112.73 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.13 112.45 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -48.13 151.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -169.32 2.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 124.08 21.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 71.02 29.81 2.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -119.74 160.59 22.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.14 123.45 36.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 93' ' ' THR . 2.8 pt-20 -54.52 163.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.798 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.7 t -89.49 116.88 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -97.05 -12.9 22.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.42 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.69 -171.29 37.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.798 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 80.3 m-85 -147.04 168.16 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 36.9 mttt -126.97 117.02 21.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.67 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.1 t -92.34 99.95 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 88' ' ' GLU . 45.9 m-85 -89.58 100.76 13.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 20.3 p90 -109.97 135.57 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.1 ptm180 -155.62 152.95 29.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 83' ' ' GLU . 86.4 m -65.75 169.12 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -44.54 -34.45 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.03 -77.83 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 63.39 -160.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -133.25 -52.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -135.43 119.34 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 12.6 p -67.66 151.28 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.1 mt-30 -99.88 168.11 10.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' CE2' ' A' ' 56' ' ' PHE . 40.6 t -125.85 146.83 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.93 122.39 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.59 130.3 37.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -145.99 130.31 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -98.26 3.89 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.51 165.52 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -81.91 6.96 14.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.27 -175.34 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -168.87 168.76 10.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG2' ' CD1' ' A' ' 35' ' ' LEU . 17.6 mt-10 -142.05 118.36 10.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -116.48 -178.03 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' VAL . 18.3 m -88.57 -175.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -94.47 148.39 34.9 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.22 -53.26 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.79 156.55 43.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HB3' HG22 ' A' ' 59' ' ' THR . 4.1 mt-10 62.8 138.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 m-20 -51.78 172.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.608 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -125.93 122.14 35.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.608 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.1 mp -101.85 104.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.458 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -101.36 146.03 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -138.43 122.72 18.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.548 HG11 ' CG ' ' A' ' 38' ' ' TRP . 98.9 t -93.83 127.93 45.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.449 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 3.1 mttm -124.82 154.08 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -108.7 135.2 50.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.513 HG23 ' CA ' ' A' ' 53' ' ' TYR . 24.1 p -105.91 148.51 27.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -138.3 -169.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.451 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -22.41 61.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -84.78 -37.33 10.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.52 -128.37 1.99 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.67 -179.5 5.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 0.741 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -130.88 -132.85 3.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.6 m -100.26 155.04 17.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 110.405 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.427 ' CB ' ' OE1' ' A' ' 88' ' ' GLU . 21.8 p -107.35 117.08 33.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 96.7 p -52.75 -177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.7 125.34 26.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' CG ' HG23 ' A' ' 86' ' ' ILE . 19.2 mt-30 -47.27 137.23 8.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.595 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -92.41 161.12 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.41 112.71 13.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.631 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 8.7 mt -123.47 93.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.34 40.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -45.73 139.77 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 pp -107.79 168.21 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 109' ' ' ILE . 2.9 p -159.0 33.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.412 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 110' ' ' THR . 2.2 p 161.78 -89.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.81 -53.33 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.19 -175.54 40.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -70.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.1 p -118.4 146.73 44.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 46.34 88.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.26 169.82 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 110.003 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.72 164.99 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.78 176.01 21.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.9 160.15 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.67 172.54 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.06 -152.22 7.25 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.5 p -81.49 79.66 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 0.745 . . . . 0.0 110.39 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.67 43.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.352 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -135.88 131.69 35.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 m -135.77 137.08 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 t -82.01 53.99 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.4 p -120.39 174.49 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.71 154.94 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.102 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.33 -171.59 3.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -142.49 155.57 63.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 154.03 42.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.466 1.772 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.794 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.97 145.6 31.77 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.9 m -89.7 29.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.0 tt0 -110.79 109.06 57.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.41 41.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -75.01 120.79 6.21 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.447 1.762 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.72 -171.78 36.02 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 26' ' ' VAL . 8.0 t30 54.56 22.56 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 104' ' ' ILE . 24.1 t -65.82 90.02 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 24' ' ' ASN . 20.2 m -106.36 156.55 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.689 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.6 p-90 -127.26 178.19 6.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -167.14 162.34 15.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.71 122.75 19.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -144.32 144.35 31.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.405 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.458 ' C ' HG23 ' A' ' 32' ' ' THR . 47.8 m-20 51.98 -90.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' THR . 31.9 p -154.75 45.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.02 177.98 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 55.4 t -132.0 103.64 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 76' ' ' GLU . 41.9 mt -82.65 112.19 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 87' ' ' ILE . 32.7 mt -97.51 157.62 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' CG ' ' C ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -162.61 123.36 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.581 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.8 p90 -139.77 153.6 47.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 107.986 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.28 178.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -96.77 177.88 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.502 HG22 ' HG2' ' A' ' 20' ' ' GLN . 6.7 t -143.24 113.4 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -108.21 123.74 49.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.794 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -90.97 138.35 31.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -94.49 177.48 5.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 1.4 tt0 -37.12 135.85 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.341 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 6.3 t30 88.62 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -85.16 134.68 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -75.81 137.27 40.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.066 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -64.23 162.54 14.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.629 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 53.1 t -86.37 127.9 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.9 p -100.46 -18.98 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.515 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -173.74 -156.2 13.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.629 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.1 m-85 -156.95 149.82 23.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 92' ' ' THR . 62.4 mttt -111.89 118.86 36.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.757 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.9 t -91.0 104.54 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.578 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 21.7 m-85 -89.04 100.68 13.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 23.1 p90 -109.58 135.79 50.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.0 ptm180 -160.82 138.49 9.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.1 m -60.6 171.23 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 t -65.08 -15.01 61.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.54 88.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.6 170.71 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -78.07 -76.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -124.54 133.06 53.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.1 p -66.2 157.75 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.4 mt-30 -108.09 162.55 13.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.68 138.38 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.757 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.98 130.19 53.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -81.75 126.19 31.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER -138.87 122.38 17.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -91.87 22.07 4.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -173.14 3.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.49 7.94 44.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.0 p -127.52 -173.32 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.548 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.61 172.72 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.575 ' C ' HD22 ' A' ' 77' ' ' LEU . 29.3 mt-10 -144.87 116.37 8.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -109.22 -178.24 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 m -92.26 162.2 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -72.8 134.95 81.06 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 127.85 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.639 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -79.39 -59.42 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -135.6 163.74 29.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.631 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.1 mt-10 61.45 143.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -59.3 162.7 4.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -114.75 121.24 42.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.65 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.2 mp -99.0 113.94 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.75 134.6 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -132.66 122.32 24.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 38' ' ' TRP . 78.4 t -102.66 149.53 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -161.89 130.17 4.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -68.32 154.86 40.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.615 HG21 ' HG3' ' A' ' 54' ' ' LYS . 16.0 p -126.5 146.04 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 49' ' ' GLU . 26.7 p -133.31 175.56 9.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.42 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -10.89 58.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.41 -37.99 6.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.78 -149.52 16.37 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.38 175.74 7.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.37 -137.92 5.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.454 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.7 m -99.39 154.05 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.761 . . . . 0.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.5 p -100.59 110.39 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.452 ' OG ' HG21 ' A' ' 25' ' ' VAL . 92.1 p -57.65 170.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -53.5 122.1 9.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 86' ' ' ILE . 1.9 pt20 -55.92 139.83 44.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -87.48 161.29 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -133.89 97.25 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.533 HG12 ' CD2' ' A' ' 27' ' ' TRP . 5.7 mt -109.65 100.47 42.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -40.75 138.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.641 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -64.44 130.56 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.6 p -55.81 112.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.2 t -106.8 93.42 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.5 166.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.35 121.02 4.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.7 5.75 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.436 1.756 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.16 171.21 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.8 m -163.5 103.48 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 84.8 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 0.767 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -162.1 165.87 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.46 -93.39 0.7 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.565 1.165 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m 60.9 169.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -99.75 169.54 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.41 -159.03 7.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.8 t -95.96 156.34 16.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 110.371 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.61 145.11 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.78 155.43 39.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.89 54.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.6 p -61.39 173.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.36 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 13' ' ' THR . 12.8 t -132.28 56.61 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -139.77 153.56 47.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.67 176.21 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 p -143.83 159.13 54.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.67 30.64 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.443 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 18.4 Cg_endo -74.91 141.41 26.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.18 37.86 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.607 ' O ' HG21 ' A' ' 41' ' ' VAL . 6.6 mt-30 -106.89 107.73 60.86 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 151.07 38.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.98 128.1 11.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.6 -169.97 34.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 t30 47.98 28.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG12 HD11 ' A' ' 104' ' ' ILE . 22.8 t -69.17 89.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.501 HG22 ' HB2' ' A' ' 37' ' ' ASN . 18.3 m -106.34 163.18 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.3 p-90 -134.79 177.3 7.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.046 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 3.9 m120 -169.85 168.02 8.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.18 116.13 12.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -151.84 150.67 30.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' THR . 1.6 m-20 39.47 63.64 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER 36.04 53.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 176.85 11.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 55.6 t -132.88 101.29 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 HD23 ' HG2' ' A' ' 76' ' ' GLU . 58.3 mt -82.01 111.65 18.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 87' ' ' ILE . 34.8 mt -97.29 156.45 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -160.16 131.02 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.652 ' CG ' HG11 ' A' ' 89' ' ' VAL . 46.4 p90 -149.61 148.11 28.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 107.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 174.84 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -92.33 163.82 13.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.2 t -120.23 113.31 39.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.49 112.39 24.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -41.04 152.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.433 ' N ' ' HB2' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -84.74 -166.32 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.22 119.32 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.305 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.4 m120 60.48 46.19 9.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.433 ' HB2' ' N ' ' A' ' 44' ' ' MET . 4.4 mm-40 -122.07 161.8 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -85.46 123.13 30.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.035 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -57.54 162.26 3.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.173 . . . . 0.0 110.3 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.825 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.8 t -86.74 120.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.4 p -99.61 -14.1 19.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.24 -163.68 24.69 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.825 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 73.0 m-85 -154.87 160.01 40.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HD3' HG11 ' A' ' 67' ' ' VAL . 19.7 mttm -118.37 117.39 28.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.732 ' HB ' HD22 ' A' ' 68' ' ' LEU . 42.0 t -91.84 99.96 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' LYS . 47.5 m-85 -89.91 100.44 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 21.2 p90 -109.68 136.41 49.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -156.08 145.06 20.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 60' ' ' SER . 24.7 m -63.51 170.35 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.395 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' ASP . 1.1 p -50.29 -24.1 2.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.031 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.04 87.16 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.02 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -111.41 173.48 6.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -65.79 -64.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.5 131.07 21.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.0 p -62.71 152.65 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 2.8 mt-30 -107.59 157.41 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.476 HG11 ' HD3' ' A' ' 54' ' ' LYS . 30.4 t -113.09 149.32 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.732 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.75 129.29 36.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.47 120.56 26.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.468 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -134.41 119.1 18.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.5 41.11 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.25 -172.08 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.6 OUTLIER -103.4 10.2 37.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.0 p -130.97 -178.59 4.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 110.028 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -167.66 170.66 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HG2' HD23 ' A' ' 35' ' ' LEU . 19.8 mt-10 -142.78 115.56 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.2 mm? -110.37 -177.64 3.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.18 155.64 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -62.98 144.6 97.1 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 127.83 11.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.802 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.8 mm -81.02 -55.73 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.65 155.37 43.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.14 137.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.2 m-20 -48.52 170.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.619 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -124.73 121.5 34.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.619 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.7 111.15 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -106.59 142.39 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -135.58 122.04 20.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 38' ' ' TRP . 61.3 t -93.07 130.15 42.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 2.2 mtmt -126.87 153.47 45.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.77 130.66 55.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.474 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 4.8 p -105.12 150.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 49' ' ' GLU . 23.9 p -138.76 -168.62 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.79 -13.07 61.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.18 -34.81 5.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 0.0 111.018 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 151.58 -142.48 9.5 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.42 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -73.47 -170.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.757 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -146.7 -123.94 1.52 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.6 m -104.83 153.09 21.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.789 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.3 m -104.74 125.57 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.41 ' CB ' HG21 ' A' ' 25' ' ' VAL . 68.9 p -60.76 -175.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.74 124.63 24.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 12.0 mt-30 -49.96 133.2 22.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.818 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -87.27 160.98 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -132.03 101.4 5.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 27' ' ' TRP . 11.3 mt -114.13 97.5 45.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.2 Cg_endo -75.02 163.79 34.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.8 mpp_? -37.37 146.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -70.37 133.52 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.7 p -46.3 164.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.24 -52.69 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 48.0 t -158.3 120.69 3.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.96 157.6 19.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.56 1.162 . . . . 0.0 111.033 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 93.0 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.04 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.2 p 52.47 175.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.2 t -124.87 109.12 12.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.62 133.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 0.0 110.041 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.4 p 179.37 145.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.32 122.42 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -168.0 137.23 2.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.016 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.88 168.31 19.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.68 112.74 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -167.31 147.21 5.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 110.379 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.0 m -137.06 146.34 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -177.39 129.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 11' ' ' VAL . 3.7 p -122.09 109.78 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -114.96 152.11 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.9 m -130.68 82.22 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.382 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt 173.41 138.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -99.67 -175.14 2.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.0 p -135.92 159.27 71.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HA ' ' OG ' ' A' ' 48' ' ' SER . 18.3 Cg_endo -75.03 166.96 28.07 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 43' ' ' ALA . 18.2 Cg_endo -75.04 -18.06 18.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 11.75 6.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.984 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' O ' HG21 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -96.31 112.63 60.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.263 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.97 148.43 35.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.0 125.19 9.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.81 -170.29 35.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 48.62 25.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -64.87 92.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 24' ' ' ASN . 23.8 m -106.72 158.67 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.0 p-90 -133.95 177.33 7.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -167.83 164.46 14.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' CB ' HD11 ' A' ' 109' ' ' ILE . . . -137.12 116.96 13.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.548 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.42 156.89 45.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' C ' HG23 ' A' ' 32' ' ' THR . 8.2 m-20 49.08 -92.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' C ' ' A' ' 31' ' ' ASP . 36.2 p -156.09 43.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.434 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -152.2 172.18 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.7 t -117.32 108.1 23.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 30' ' ' THR . 17.5 mt -82.44 108.21 15.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.69 HD11 HD12 ' A' ' 77' ' ' LEU . 78.1 mt -97.3 146.87 24.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -153.79 128.14 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CG ' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -141.31 164.09 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.015 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -172.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -110.68 159.31 17.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.2 t -125.23 118.49 52.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -111.83 120.34 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 18' ' ' PRO . . . -78.41 153.37 31.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.9 mmm -62.06 -175.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -80.54 3.81 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -132.69 29.06 4.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.2 mm-40 -141.59 173.63 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.724 ' OG ' HG21 ' A' ' 93' ' ' THR . 60.5 p -83.66 122.97 29.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.042 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.797 ' O ' HG22 ' A' ' 93' ' ' THR . 2.0 pt-20 -69.03 158.66 34.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.677 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 54.7 t -82.71 112.96 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.5 p -99.88 -10.62 21.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.382 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.76 -170.41 40.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.677 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 61.9 m-85 -147.07 158.16 43.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 87.3 mttt -121.03 117.47 27.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 34.9 t -87.9 110.57 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CE1' HG22 ' A' ' 67' ' ' VAL . 64.6 m-85 -98.25 100.92 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 18.7 p90 -110.28 136.43 49.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -156.74 138.68 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.419 ' OG1' ' NE2' ' A' ' 62' ' ' GLN . 0.9 OUTLIER -57.21 168.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.432 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -43.87 -38.23 3.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -141.51 79.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' NE2' ' OG1' ' A' ' 59' ' ' THR . 3.0 tp-100 -101.67 142.98 32.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -64.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -132.94 121.32 22.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 57' ' ' TYR . 8.2 p -62.01 153.65 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 3.0 mt-30 -100.85 176.86 5.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 56' ' ' PHE . 47.8 t -135.17 146.96 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.87 128.75 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -76.72 135.61 39.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.43 116.58 3.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -92.21 24.62 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.9 174.31 10.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.08 10.87 22.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.5 -173.88 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.475 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -172.71 171.6 4.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' HD22 ' A' ' 35' ' ' LEU . 35.9 mt-10 -145.28 116.01 7.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.69 HD12 HD11 ' A' ' 36' ' ' LEU . 5.7 mt -114.66 -178.24 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.158 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.4 m -88.58 -173.5 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.774 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -102.92 137.69 19.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.28 11.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.09 -49.61 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -144.95 165.73 27.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 62.28 138.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.4 m-20 -54.43 173.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.63 123.59 35.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.637 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.2 mp -101.9 102.15 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -100.45 142.49 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.7 OUTLIER -137.57 125.71 23.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CG ' ' A' ' 38' ' ' TRP . 48.2 t -95.51 132.56 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.525 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.7 mtmt -133.39 146.15 50.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.511 ' HA ' ' CD1' ' A' ' 53' ' ' TYR . . . -96.87 145.62 25.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HG3' ' A' ' 54' ' ' LYS . 61.8 p -109.47 150.0 28.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -138.58 -179.98 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.348 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.2 -14.77 61.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -96.2 -34.61 5.81 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.06 -144.31 9.33 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.2 174.5 8.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.12 -131.04 4.51 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 54.4 m -107.03 151.88 24.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 0.7 OUTLIER -95.9 128.05 42.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.975 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.455 ' CB ' HG21 ' A' ' 25' ' ' VAL . 32.9 p -59.91 -150.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.2 121.85 36.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.469 ' CG ' HG23 ' A' ' 86' ' ' ILE . 29.3 mt-30 -46.24 134.51 8.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -92.09 153.69 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -123.26 105.59 10.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.562 HG12 ' CE3' ' A' ' 27' ' ' TRP . 6.2 mt -118.48 96.71 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.1 Cg_endo -75.0 162.47 37.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' PRO . 8.0 mtp180 -37.83 136.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -67.08 144.95 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 73.9 p -69.02 -62.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.441 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.1 78.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -154.08 -51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.79 121.5 1.23 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.448 1.093 . . . . 0.0 111.045 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 173.22 14.88 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.965 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.75 153.06 22.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.967 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -171.39 129.66 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.53 150.98 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 0.778 . . . . 0.0 110.048 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -166.53 169.4 13.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.82 166.31 33.9 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 160.48 43.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 0.74 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -97.99 146.99 24.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.96 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.16 93.96 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -152.15 152.62 32.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -83.03 150.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -119.46 -55.71 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.55 145.69 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -125.71 175.68 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -140.07 115.46 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 mttt 57.76 163.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -117.26 -178.36 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.2 p -139.17 157.68 70.67 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 150.63 38.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.806 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.779 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.93 139.4 24.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.28 36.65 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HG2' HG13 ' A' ' 41' ' ' VAL . 2.7 tt0 -116.42 109.14 44.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.74 42.58 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.5 Cg_endo -74.99 125.05 9.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.94 -176.09 35.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' O ' HG13 ' A' ' 26' ' ' VAL . 6.5 t30 56.03 23.27 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG12 HD11 ' A' ' 104' ' ' ILE . 23.7 t -65.17 90.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 24' ' ' ASN . 22.0 m -107.04 157.19 7.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 1.007 ' CZ3' HG23 ' A' ' 106' ' ' ILE . 57.1 p-90 -132.03 178.34 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -168.98 163.0 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.7 120.39 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.94 146.45 39.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.416 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' C ' HG23 ' A' ' 32' ' ' THR . 18.6 m-20 51.09 -91.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' THR . 48.3 p -153.97 43.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -148.67 163.0 38.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 43.2 t -118.45 102.42 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 30.3 mt -82.62 113.22 20.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD11 HG21 ' A' ' 87' ' ' ILE . 42.6 mt -96.88 159.83 14.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -164.21 127.69 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.343 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.574 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.9 p90 -145.85 150.91 37.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.002 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -177.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -104.17 158.5 16.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.424 HG13 ' HG2' ' A' ' 20' ' ' GLN . 6.3 t -116.55 118.78 59.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -110.94 115.87 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.779 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -74.7 153.29 38.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -173.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -82.92 8.13 13.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -132.85 29.58 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 -145.33 -174.26 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -104.81 126.59 52.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.672 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.56 165.72 7.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.858 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 71.7 t -94.38 127.08 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 p -109.11 -10.04 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' A' ' 53' ' ' TYR . . . -170.99 -168.12 32.27 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.858 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 68.6 m-85 -155.22 161.35 41.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 67' ' ' VAL . 73.9 mttt -120.35 119.09 32.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.5 t -91.44 100.75 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.541 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 51.6 m-85 -86.8 101.6 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 85' ' ' TYR . 26.1 p90 -110.34 136.21 49.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.7 ptm180 -156.32 144.69 19.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.49 HG22 ' HB3' ' A' ' 83' ' ' GLU . 2.7 m -66.6 177.91 1.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -69.86 -7.22 38.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.64 97.5 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 0.8 OUTLIER -156.69 -44.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 62' ' ' GLN . 9.1 t30 82.44 -66.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -76.04 102.92 5.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 9.3 p -86.55 153.18 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 32.7 mt-30 -96.74 178.18 5.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.541 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 14.5 t -137.11 135.92 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -119.2 128.16 53.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -79.88 123.77 28.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.66 125.93 21.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -97.84 37.11 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.82 -172.99 4.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -100.11 4.8 44.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.417 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 p -125.81 -175.7 3.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.57 173.98 5.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' C ' HD22 ' A' ' 77' ' ' LEU . 51.5 mt-10 -147.6 118.77 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.643 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.3 mm? -109.27 -177.98 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.5 m -97.65 153.22 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.918 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -59.35 137.73 88.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 124.01 8.28 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.584 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.2 mp -67.47 -63.2 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -141.29 162.73 34.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.49 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.4 mt-10 66.02 143.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 60' ' ' SER . 0.9 OUTLIER -53.43 167.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.4 t80 -123.4 121.4 35.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 85' ' ' TYR . 1.2 mm -100.87 112.4 33.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.54 HG21 HD11 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -108.78 140.82 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -135.47 121.84 20.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.574 HG11 ' CD1' ' A' ' 38' ' ' TRP . 58.9 t -90.88 136.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 1.5 mttm -133.92 146.72 50.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -102.69 135.31 44.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.088 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.544 HG23 ' HA ' ' A' ' 53' ' ' TYR . 29.4 p -104.26 146.83 28.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 49' ' ' GLU . 6.8 p -138.24 -173.64 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -14.3 62.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.89 -34.98 5.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 151.11 -144.42 11.72 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.62 173.56 10.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.24 -128.59 3.11 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -97.96 151.37 20.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 110.367 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 4.3 p -102.07 112.87 25.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.411 ' CB ' HG21 ' A' ' 25' ' ' VAL . 83.6 p -49.52 177.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.84 122.84 17.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.0 pt20 -48.6 136.53 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.734 HD11 HG12 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -89.34 159.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -130.97 97.4 4.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 1.007 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 7.7 mt -111.48 99.24 43.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 167.28 27.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -41.91 141.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.259 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.713 HG13 HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -107.1 135.86 44.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.713 HG23 HG13 ' A' ' 109' ' ' ILE . 70.7 p 41.15 -143.84 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 48.04 62.33 2.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.6 m -116.5 -63.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.91 -142.97 3.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 115' ' ' SER . 18.2 Cg_endo -74.99 -36.38 2.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 114' ' ' PRO . 12.5 t 57.81 111.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 m -160.02 112.95 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.73 122.82 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.26 153.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.53 69.45 0.52 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.459 1.099 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -120.03 153.76 35.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 109.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -175.06 150.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.61 169.59 30.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -169.85 135.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.95 137.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -136.34 155.83 49.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.78 127.02 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -152.02 122.68 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 13' ' ' THR . 17.3 m -120.15 60.4 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.1 177.66 5.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.79 -175.25 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.9 p -141.78 158.12 63.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.07 156.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 -12.54 21.54 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.436 ' C ' ' HG1' ' A' ' 99' ' ' THR . 4.6 m 54.58 18.96 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.474 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.8 mt-30 -89.16 113.11 54.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.2 Cg_endo -74.96 147.28 33.89 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.57 ' HG3' HG12 ' A' ' 89' ' ' VAL . 18.2 Cg_endo -75.03 135.03 18.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.76 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.38 -172.52 30.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 45.58 32.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.76 . . . . 0.0 109.33 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.699 HG12 HD11 ' A' ' 104' ' ' ILE . 61.7 t -68.28 93.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 37' ' ' ASN . 27.6 m -106.62 175.79 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.608 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 69.4 p-90 -153.33 178.66 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 108.024 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -162.73 158.24 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.39 122.13 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' LEU . 1.5 t -150.88 160.65 43.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' C ' HG23 ' A' ' 32' ' ' THR . 32.5 m-20 44.63 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' THR . 41.1 p -155.81 44.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.49 161.37 42.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 31.6 t -117.24 107.99 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.566 ' CD2' HG22 ' A' ' 30' ' ' THR . 1.0 OUTLIER -87.25 116.97 25.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 87' ' ' ILE . 35.4 mt -99.61 157.46 16.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -163.53 123.37 2.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 73' ' ' THR . 47.6 p90 -139.52 169.33 17.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.153 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -166.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -111.68 171.77 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG12 ' CG2' ' A' ' 50' ' ' VAL . 2.3 t -133.35 113.98 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -102.72 111.24 23.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -50.35 163.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -170.17 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' OE1' ' ND2' ' A' ' 46' ' ' ASN . 1.2 tt0 -65.32 124.75 23.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' ND2' ' OE1' ' A' ' 45' ' ' GLU . 14.3 m-20 72.4 34.61 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.92 158.22 39.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -88.45 117.64 27.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 2.6 pt-20 -59.28 160.34 6.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.536 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.2 t -82.51 121.6 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 60.9 p -101.0 -8.04 22.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -175.02 -159.29 20.96 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.89 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 47.8 m-85 -157.41 160.63 38.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 67' ' ' VAL . 7.5 mttt -125.26 117.31 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.671 ' HB ' HD22 ' A' ' 68' ' ' LEU . 40.0 t -91.26 110.2 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.602 ' CE1' ' CE ' ' A' ' 90' ' ' LYS . 26.6 m-85 -94.31 100.66 12.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 16.7 p90 -108.71 135.34 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.1 ptm180 -155.35 130.84 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 60' ' ' SER . 54.7 m -64.41 168.47 5.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.389 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.505 ' HG ' ' HG2' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -60.61 103.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.001 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 m 63.7 76.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' CB ' ' A' ' 63' ' ' ASN . 10.1 tm0? -101.96 -71.63 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' GLN . 2.2 m-20 161.17 -75.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -122.09 111.93 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 13.3 p -63.63 154.45 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.563 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 44.9 mt-30 -102.63 177.18 4.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.56 HG13 ' HB3' ' A' ' 54' ' ' LYS . 15.1 t -135.09 138.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -120.66 122.34 40.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.28 123.91 29.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.7 t -146.09 139.58 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -103.79 48.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.26 177.41 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -95.27 7.1 47.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.425 ' O ' ' CH2' ' A' ' 38' ' ' TRP . 0.5 OUTLIER -126.98 -175.22 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -171.74 173.48 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.635 ' C ' HD22 ' A' ' 77' ' ' LEU . 50.4 mt-10 -144.07 117.22 8.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.635 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.1 mm? -109.4 -177.95 3.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.75 153.34 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.249 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -49.51 150.06 3.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.517 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.0 120.04 5.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.611 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -80.89 89.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 62.23 -96.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -38.29 141.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' N ' ' HB3' ' A' ' 60' ' ' SER . 3.5 m-20 -51.76 -177.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.54 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.6 t80 -137.01 121.76 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.561 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mm -100.54 107.55 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.562 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -103.52 141.72 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.3 mt-10 -137.65 123.54 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.57 HG12 ' HG3' ' A' ' 22' ' ' PRO . 66.2 t -102.4 140.93 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.602 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.64 126.53 6.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.89 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -73.11 144.56 46.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -119.97 154.77 34.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -136.69 -178.93 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -30.61 71.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.68 -40.79 45.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.11 -177.36 38.34 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -55.79 -177.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.8 -142.17 5.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.516 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 3.5 m -95.5 156.26 16.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 110.369 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 12.3 p -101.54 125.7 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.5 p -67.79 -174.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.985 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 121.92 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.561 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.9 pt20 -48.9 134.04 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.699 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -88.1 159.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -129.35 101.51 6.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 36.1 mt -115.79 101.93 54.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 164.29 33.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.49 176.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.73 115.32 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.44 151.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 m -101.56 147.71 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.9 m -150.72 82.79 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.402 1.064 . . . . 0.0 110.004 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -121.03 174.29 15.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.02 5.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -170.74 -58.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 m 56.82 88.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.98 133.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.79 169.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.49 -114.9 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 6' ' ' SER . 7.5 m 65.78 127.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER 162.84 159.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.27 175.64 47.18 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.9 m -121.12 131.53 54.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 10' ' ' ASN . 18.5 m -69.4 -51.48 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.505 ' N ' HG23 ' A' ' 9' ' ' VAL . 1.1 t-20 168.77 105.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 m -92.82 143.75 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.8 p 43.77 -156.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.448 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -166.55 115.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -159.4 157.96 31.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -91.11 164.34 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -147.57 162.22 32.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.485 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.2 Cg_endo -74.98 152.11 40.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 149.34 36.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -91.16 28.65 1.57 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.951 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' O ' HG21 ' A' ' 41' ' ' VAL . 2.3 mt-30 -103.6 109.79 62.65 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 152.41 40.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.439 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 123.93 8.24 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.778 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.56 -174.81 31.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.7 OUTLIER 56.14 19.41 3.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.823 HG12 HD11 ' A' ' 104' ' ' ILE . 29.3 t -61.95 91.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 24' ' ' ASN . 25.3 m -106.3 153.34 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.9 p-90 -128.86 178.48 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 17.6 m-20 -172.79 166.91 5.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 33' ' ' LYS . . . -133.93 116.92 16.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -151.67 152.95 33.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.404 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' C ' HG23 ' A' ' 32' ' ' THR . 0.6 OUTLIER 43.6 43.27 4.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.573 ' HA ' HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER 52.86 40.1 30.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' THR . 14.9 ttmm -142.11 161.75 37.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 69.3 t -115.44 106.32 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 31.6 mt -89.22 111.83 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.818 HD11 HD12 ' A' ' 77' ' ' LEU . 65.4 mt -97.11 146.84 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 37' ' ' ASN . 0.2 OUTLIER -154.48 123.75 6.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.681 ' CE2' HG11 ' A' ' 89' ' ' VAL . 47.6 p90 -135.86 158.04 45.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -177.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -98.57 173.34 6.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.7 t -135.23 116.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -91.66 119.73 31.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -59.87 144.93 47.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -164.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 11.5 tp10 -75.75 121.86 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 1.7 t-20 83.01 -3.0 1.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -88.97 155.32 19.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.56 128.08 35.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 pt-20 -56.39 162.17 2.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.165 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 69.6 t -82.25 112.25 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -92.89 -3.44 54.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.66 -175.34 45.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.783 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 51.8 m-85 -140.67 163.06 33.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.958 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 92' ' ' THR . 26.1 mttt -121.82 117.32 26.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.666 ' HB ' HD22 ' A' ' 68' ' ' LEU . 46.6 t -89.25 113.54 25.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.579 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 51.2 m-85 -104.94 101.23 10.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' C ' HG23 ' A' ' 65' ' ' VAL . 15.3 p90 -109.01 135.99 49.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.9 ptm180 -153.63 140.03 18.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.43 ' H ' ' HG1' ' A' ' 59' ' ' THR . 1.4 p -56.51 166.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' HB3' ' N ' ' A' ' 84' ' ' ASP . 0.3 OUTLIER -48.61 -46.68 39.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.7 m -120.86 83.4 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -117.34 154.79 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -86.28 -58.87 2.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -122.84 128.87 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 8.5 p -81.31 155.73 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -96.46 178.16 5.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.576 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 15.5 t -137.02 151.08 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -138.24 126.96 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.53 135.54 39.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.86 123.9 6.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.375 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -97.21 20.74 10.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.12 170.66 13.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -87.07 14.92 6.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.407 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.8 m -139.49 178.1 7.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.46 178.46 8.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.465 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 36.8 mt-10 -148.45 118.5 7.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.818 HD12 HD11 ' A' ' 36' ' ' LEU . 12.4 mt -117.14 -177.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.8 m -99.44 153.29 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.6 pp -62.16 143.28 95.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.2 Cg_endo -75.03 134.52 17.85 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 110.954 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.65 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.5 mp -79.98 -66.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -130.84 157.42 42.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.75 139.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.414 ' N ' ' HB3' ' A' ' 60' ' ' SER . 1.1 m-20 -49.18 174.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.555 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -128.89 120.79 26.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CD1' ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER -99.29 112.97 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.43 HD11 HD12 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -108.8 143.66 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -137.79 132.72 33.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.681 HG11 ' CE2' ' A' ' 38' ' ' TRP . 57.7 t -118.02 132.23 68.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.1 OUTLIER -140.8 138.84 34.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.783 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -80.65 129.38 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.486 HG21 ' HG3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.09 141.4 48.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.396 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 59.3 p -121.42 -171.06 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.41 -12.04 61.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.32 -35.13 7.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.71 -151.25 21.69 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 0.5 OUTLIER -87.31 177.66 7.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 0.771 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 -131.24 3.56 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 2.4 m -105.18 143.13 33.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.759 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 3.6 m -92.63 132.19 37.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.438 ' CB ' HG21 ' A' ' 25' ' ' VAL . 52.9 p -67.86 177.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.013 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 122.89 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.471 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 36.8 mt-30 -48.28 136.09 12.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.823 HD11 HG12 ' A' ' 25' ' ' VAL . 1.3 mt -86.68 161.3 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.41 98.96 4.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.523 HG12 ' CD2' ' A' ' 27' ' ' TRP . 12.0 mt -112.55 98.33 43.69 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.92 39.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -38.59 139.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.49 125.18 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.42 134.04 50.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.95 -44.18 23.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.422 1.076 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 65.8 p -134.88 153.88 51.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.57 140.71 12.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 177.19 8.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 29.7 t -117.02 143.24 45.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 21.7 m -129.76 126.09 37.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -169.89 156.35 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -162.55 170.58 18.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.04 -170.71 20.98 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.097 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -178.46 171.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -172.48 172.74 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.46 97.56 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.6 p -132.7 -168.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 m -121.31 175.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -159.8 107.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -110.31 -176.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 t -119.73 138.99 52.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.9 t -171.27 147.68 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.73 152.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.23 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -70.76 -171.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 p -146.48 157.61 48.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.02 153.98 42.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.97 -17.0 19.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.494 1.786 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 m 59.32 17.25 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.027 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.771 ' O ' HG21 ' A' ' 41' ' ' VAL . 13.0 mt-30 -88.16 113.77 56.49 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 18.1 Cg_endo -75.03 147.46 33.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -75.01 131.07 13.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.48 -174.55 35.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.0 t30 48.24 29.38 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 0.745 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.738 HG12 HD11 ' A' ' 104' ' ' ILE . 58.8 t -66.53 93.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 37' ' ' ASN . 23.3 m -107.58 172.27 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 52.1 p-90 -147.07 178.34 8.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 108.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -167.14 162.53 15.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.86 119.04 14.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -136.66 145.35 44.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 49.68 -91.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.543 ' HA ' HD23 ' A' ' 79' ' ' LEU . 26.7 p -151.23 45.79 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -144.41 -179.36 6.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 42.2 t -139.42 103.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD23 ' HG2' ' A' ' 76' ' ' GLU . 54.0 mt -82.76 109.38 16.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.911 HD11 HD12 ' A' ' 77' ' ' LEU . 82.6 mt -97.02 145.76 25.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -148.08 142.85 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.641 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.2 p90 -159.11 147.4 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.98 176.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -100.75 157.46 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.6 t -114.76 114.9 47.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -98.6 114.54 27.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -57.98 153.85 13.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -169.93 2.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 1.5 tt0 -66.11 121.99 16.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 0.4 OUTLIER 75.68 29.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -123.28 152.96 40.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -82.23 121.62 26.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 3.1 pt-20 -63.02 164.74 7.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 97.6 t -93.13 119.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.3 p -101.42 -2.04 31.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.417 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . 179.02 -161.96 28.56 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.675 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.6 m-85 -156.9 160.56 39.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -116.49 116.53 27.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' CB ' HD23 ' A' ' 68' ' ' LEU . 43.1 t -89.42 111.03 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.58 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 49.1 m-85 -99.9 100.31 11.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.484 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 31.4 p90 -108.81 137.03 47.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.486 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.7 ptm180 -153.08 144.85 23.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 24.5 m -67.59 165.9 16.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -48.73 -23.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.17 90.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.963 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.8 173.94 11.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -69.5 -169.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -40.36 118.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.486 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.2 p -48.07 157.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 6.9 mm-40 -95.79 177.0 5.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.58 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 4.6 t -134.57 124.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.917 HD21 ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -107.6 137.86 44.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' N ' HD12 ' A' ' 68' ' ' LEU . 20.1 m120 -90.04 137.96 31.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.21 116.54 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -90.53 38.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.96 -175.52 5.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -92.31 11.21 26.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 -171.98 2.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB1' HD21 ' A' ' 68' ' ' LEU . . . -171.3 171.91 5.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.471 ' HG2' HD23 ' A' ' 35' ' ' LEU . 12.0 mt-10 -142.25 120.04 11.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.911 HD12 HD11 ' A' ' 36' ' ' LEU . 18.6 mt -118.68 178.92 4.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -93.66 154.45 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.91 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -60.65 139.62 92.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.4 Cg_endo -74.98 120.04 5.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.7 mp -92.37 83.81 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 79.27 155.53 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 61.77 137.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.23 176.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.528 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -132.93 121.54 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.634 HG22 ' HB2' ' A' ' 103' ' ' GLN . 0.9 OUTLIER -98.3 99.82 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.9 OUTLIER -99.61 138.3 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -133.8 122.68 23.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.535 HG11 ' CD1' ' A' ' 38' ' ' TRP . 97.0 t -95.71 123.93 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -118.65 141.27 48.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -98.96 112.79 24.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.6 t -99.15 157.4 16.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 110.395 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 71.4 p -138.6 -172.11 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -22.99 67.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -83.81 -36.62 13.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.09 -160.16 29.25 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -173.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -145.62 -127.02 1.87 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.0 m -106.71 151.88 24.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 0.79 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' OE1' ' A' ' 88' ' ' GLU . 4.3 p -103.33 141.12 36.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.467 ' CB ' HG21 ' A' ' 25' ' ' VAL . 94.2 p -79.76 177.03 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.953 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 8.7 pt-20 -59.8 119.1 7.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.634 ' HB2' HG22 ' A' ' 86' ' ' ILE . 4.4 pt20 -45.75 136.89 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -89.62 149.43 4.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -118.79 101.61 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.568 HG12 ' CE3' ' A' ' 27' ' ' TRP . 75.1 mt -110.05 101.64 48.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.69 19.86 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -45.76 136.74 5.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.621 HD12 ' N ' ' A' ' 111' ' ' SER . 1.2 pp -58.85 116.86 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -41.18 -47.04 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.621 ' N ' HD12 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 85.6 -56.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.029 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.71 162.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.87 76.37 0.16 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.45 1.763 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.8 t -73.05 97.84 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.68 105.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 65.33 120.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 0.788 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.95 167.49 18.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.55 -111.15 2.72 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -133.95 100.53 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.776 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 m -145.99 165.59 28.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.04 117.46 5.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 9' ' ' VAL . 0.9 OUTLIER -117.9 171.11 8.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.365 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.406 ' N ' ' OG1' ' A' ' 8' ' ' THR . 7.3 m -103.05 134.99 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -161.99 166.8 25.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -120.95 172.96 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 t -156.84 133.9 10.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.432 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.4 t -114.94 143.5 45.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.01 137.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.65 174.85 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 p -141.49 157.06 66.49 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 18.3 Cg_endo -75.0 151.31 39.36 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.771 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.565 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.01 147.22 33.6 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.5 1.789 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -91.2 31.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.598 ' O ' HG21 ' A' ' 41' ' ' VAL . 3.0 mt-30 -105.06 108.38 61.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 151.71 39.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 121.8 6.82 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.818 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.08 -172.18 35.58 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.74 26.12 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 0.724 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 104' ' ' ILE . 43.2 t -66.8 91.05 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 37' ' ' ASN . 22.1 m -106.33 158.59 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.626 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 47.7 p-90 -132.69 178.56 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 108.012 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -167.61 161.12 13.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -137.88 119.04 14.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -140.08 146.79 39.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.437 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 32' ' ' THR . 70.0 m-20 52.64 -90.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.509 ' HB ' HD23 ' A' ' 79' ' ' LEU . 35.7 p -156.29 45.99 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 34' ' ' VAL . 15.5 ttmm -150.92 163.56 38.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 33' ' ' LYS . 51.1 t -118.81 104.44 16.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 28.0 mt -85.85 115.22 23.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.508 HD11 HG21 ' A' ' 87' ' ' ILE . 43.6 mt -96.98 156.67 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -162.34 123.92 2.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.603 ' HH2' ' HB2' ' A' ' 75' ' ' ALA . 43.4 p90 -137.58 172.8 12.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.045 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -168.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.264 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -112.52 162.63 15.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 20' ' ' GLN . 2.8 t -124.23 114.05 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -98.02 112.01 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -57.51 137.73 55.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.496 ' O ' ' C ' ' A' ' 45' ' ' GLU . 2.8 ptt? -96.93 -166.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 44' ' ' MET . 0.3 OUTLIER 29.55 -142.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.2 28.58 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -71.83 179.28 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -100.85 132.29 46.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 93' ' ' THR . 3.0 pt-20 -63.41 162.11 13.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.506 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 62.2 t -82.33 107.89 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.1 p -86.57 -5.77 59.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.488 ' O ' HG13 ' A' ' 50' ' ' VAL . . . 177.12 -171.08 43.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.874 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 31.7 m-85 -144.17 157.14 44.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.405 ' HB3' HG13 ' A' ' 67' ' ' VAL . 13.8 mttt -119.4 118.6 31.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.654 ' HB ' HD22 ' A' ' 68' ' ' LEU . 37.8 t -91.63 120.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 90' ' ' LYS . 23.8 m-85 -107.34 100.86 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.562 ' O ' HG23 ' A' ' 65' ' ' VAL . 23.0 p90 -108.92 136.14 48.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -155.52 138.23 15.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 83' ' ' GLU . 13.4 m -56.6 169.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -43.9 -28.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.04 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -159.3 97.31 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.5 170.59 8.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -77.47 -63.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -135.65 117.27 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.6 p -61.59 151.46 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -103.14 167.86 9.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.516 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 9.7 t -127.08 137.77 56.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.654 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -116.48 133.95 55.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.29 132.27 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.8 t -155.75 128.57 7.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.374 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 52.9 p-10 -94.94 49.48 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.92 179.74 8.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.549 ' O ' ' CD2' ' A' ' 38' ' ' TRP . 1.0 OUTLIER -97.56 11.54 36.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.591 ' C ' ' CH2' ' A' ' 38' ' ' TRP . 27.4 m -135.01 179.59 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.603 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -162.78 -179.89 7.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.542 ' C ' HD22 ' A' ' 77' ' ' LEU . 36.2 mt-10 -148.91 116.24 6.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.4 mm? -108.55 -178.42 3.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -97.57 154.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.722 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.4 pp -58.86 146.3 76.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 144.4 30.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.649 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.7 mp -76.86 -56.92 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.358 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 81' ' ' ILE . 2.4 mttt -151.14 -81.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.579 ' HB3' HG22 ' A' ' 59' ' ' THR . 3.7 mt-10 -41.68 142.52 0.63 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' SER . 32.3 m-20 -48.34 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.651 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.8 t80 -133.26 121.3 22.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.3 mp -100.58 118.04 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.508 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -113.22 137.01 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.4 mt-10 -132.55 125.1 29.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.12 136.62 39.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -151.14 127.93 10.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -69.33 157.01 37.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.62 148.46 47.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 49' ' ' GLU . 33.1 p -130.21 -174.52 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -21.67 66.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.47 -40.22 13.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.99 -145.35 9.8 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' PRO . 1.1 p-10 -91.17 -177.44 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.35 -138.84 4.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' LYS . 10.4 m -97.39 151.91 19.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 0.779 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.491 ' HA ' ' HB3' ' A' ' 90' ' ' LYS . 7.9 m -101.0 128.52 47.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 25' ' ' VAL . 85.5 p -72.14 163.26 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 6.2 pt-20 -47.31 119.75 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 110.344 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.659 ' HB2' HG23 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -50.12 138.91 15.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -86.96 161.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -131.38 99.44 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.324 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.543 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 12.2 mt -112.08 97.13 37.44 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 177.98 7.88 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -38.81 149.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.682 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -73.62 140.4 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.8 p -62.18 -179.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.401 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.2 110.49 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.3 p -75.5 118.2 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -119.81 100.09 0.77 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.34 30.25 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.765 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.6 m -138.35 110.53 7.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.0 t -103.19 119.58 39.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 m -94.21 169.66 10.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -162.86 141.98 8.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.65 -148.94 9.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.421 1.076 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m 58.73 162.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.985 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.85 175.64 11.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.0 147.13 6.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 8' ' ' THR . 10.2 t -169.17 92.38 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 0.764 . . . . 0.0 110.437 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.0 m -108.72 134.65 50.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t30 177.72 113.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 12' ' ' THR . 3.9 t -97.09 158.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' N ' ' CG1' ' A' ' 11' ' ' VAL . 6.2 t -165.47 158.17 15.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.398 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.0 m -129.55 79.27 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -174.54 138.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.02 -174.46 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -145.92 155.21 51.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' O ' ' OE1' ' A' ' 47' ' ' GLU . 18.4 Cg_endo -74.99 150.99 39.03 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.814 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.04 139.72 24.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.3 p -88.44 37.02 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -113.87 109.45 50.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.99 42.89 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.502 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -75.02 126.89 10.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.56 -175.86 40.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 51.99 30.12 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.742 ' CG1' HD11 ' A' ' 104' ' ' ILE . 66.9 t -69.01 91.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 16.1 m -109.12 170.59 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.638 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 63.9 p-90 -147.81 178.3 8.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 108.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -163.53 160.43 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.1 122.42 18.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HD21 ' A' ' 35' ' ' LEU . 5.6 t -150.88 163.75 37.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.504 ' C ' HG23 ' A' ' 32' ' ' THR . 25.0 m-20 45.72 -93.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.682 ' HB ' HD23 ' A' ' 79' ' ' LEU . 37.2 p -156.59 43.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.771 ' HD2' HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -152.31 167.86 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 t -122.39 112.19 33.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.771 HD11 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -89.18 127.18 35.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 HG11 ' A' ' 55' ' ' VAL . 37.4 mt -108.03 151.33 25.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' A' ' 37' ' ' ASN . 0.0 OUTLIER -155.44 125.89 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' CG ' HG11 ' A' ' 89' ' ' VAL . 48.5 p90 -145.42 152.65 40.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 178.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -97.65 164.48 12.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 4.3 t -123.33 118.04 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -112.92 115.27 28.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.814 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -72.36 -177.66 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.477 ' CE ' ' HB3' ' A' ' 46' ' ' ASN . 6.9 ptm -101.39 -173.12 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -78.98 5.94 10.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' HB3' ' CE ' ' A' ' 44' ' ' MET . 16.4 t30 -129.79 25.08 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.6 mt-10 -146.91 175.73 10.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -96.33 122.86 39.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.992 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 93' ' ' THR . 2.6 pt-20 -61.46 163.31 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 73.7 t -89.12 130.66 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 34.7 p -113.48 -7.72 13.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.53 -165.92 31.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CE1' ' HB2' ' A' ' 91' ' ' ALA . 65.2 m-85 -154.3 165.08 37.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 69.9 mttt -127.76 120.77 28.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.664 ' HB ' HD22 ' A' ' 68' ' ' LEU . 38.1 t -92.98 101.9 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 67' ' ' VAL . 55.0 m-85 -89.14 100.42 13.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 19.8 p90 -109.11 136.12 49.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 5.1 ptm180 -158.23 132.46 8.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.64 HG22 ' HB3' ' A' ' 83' ' ' GLU . 44.2 m -59.88 167.09 2.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 61' ' ' SER . 2.1 t -59.96 96.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.9 OUTLIER 85.66 68.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.034 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -120.81 123.83 43.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -67.78 114.15 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.0 m120 68.95 112.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p -79.05 163.28 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 1.7 mp0 -95.81 177.24 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.35 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 56' ' ' PHE . 54.2 t -141.47 145.7 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.664 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.31 120.47 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -74.82 124.67 27.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t -142.33 131.69 23.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -95.5 -7.43 38.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 173.19 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.8 OUTLIER -89.36 13.52 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 110.386 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 m -133.27 -176.62 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.412 ' CB ' HG21 ' A' ' 55' ' ' VAL . . . -165.71 167.66 16.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.636 ' HG2' HD12 ' A' ' 35' ' ' LEU . 2.1 mp0 -140.13 116.84 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.64 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.95 -178.27 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.36 154.22 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 32' ' ' THR . 3.0 pp -47.28 144.76 4.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.91 22.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.678 HD11 ' CD1' ' A' ' 79' ' ' LEU . 14.3 mm -109.66 86.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER 64.89 156.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.64 ' HB3' HG22 ' A' ' 59' ' ' THR . 1.3 mt-10 60.91 140.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' SER . 2.1 m-20 -59.46 167.29 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.604 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.5 OUTLIER -118.22 121.44 40.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -98.73 101.6 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.501 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -100.34 145.65 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -140.06 122.69 16.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CG ' ' A' ' 38' ' ' TRP . 46.6 t -93.49 134.28 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.544 ' HE3' ' CE2' ' A' ' 56' ' ' PHE . 1.4 mtmt -136.76 147.24 46.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . . . -103.58 131.44 50.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.479 HG23 ' CA ' ' A' ' 53' ' ' TYR . 2.6 p -97.98 148.16 23.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.6 p -138.21 -173.1 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -16.08 62.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.44 -34.81 6.48 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 157.3 -129.06 2.27 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.6 178.36 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 0.788 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.22 -128.75 3.22 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.5 m -99.72 146.81 26.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.382 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 1.2 m -98.37 114.23 26.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.7 p -52.03 171.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.1 125.1 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 30.2 mt-30 -47.88 134.07 13.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.742 HD11 ' CG1' ' A' ' 25' ' ' VAL . 0.3 OUTLIER -91.63 135.3 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -107.32 100.02 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.519 HG12 ' CD2' ' A' ' 27' ' ' TRP . 20.6 mt -113.92 103.92 55.12 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.18 37.67 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.56 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.08 146.75 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 p -80.49 -55.54 4.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.34 170.39 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.986 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.4 p -39.68 148.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 178.84 90.3 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 t -169.8 139.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -76.71 161.49 28.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.78 113.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.41 149.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.012 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.46 -173.47 36.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.63 123.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 179.89 169.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.02 -176.34 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 m -142.97 135.41 27.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 110.392 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.58 162.83 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -104.24 145.22 30.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 12' ' ' THR . 8.5 p -105.17 168.12 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.53 HG21 ' CG2' ' A' ' 16' ' ' THR . 80.9 p -126.51 176.66 7.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.359 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 13' ' ' THR . 6.2 t -94.76 70.6 3.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.96 118.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm 56.71 -174.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.53 ' CG2' HG21 ' A' ' 12' ' ' THR . 1.5 p -150.67 155.08 35.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.15 40.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.527 1.804 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.988 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -74.99 140.81 25.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.5 p -89.03 34.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -117.36 110.01 41.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 158.41 41.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.515 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.99 127.06 10.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.66 -172.74 36.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 26' ' ' VAL . 3.2 t30 51.1 25.7 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.636 HG22 ' HB2' ' A' ' 38' ' ' TRP . 46.2 t -65.87 92.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 37' ' ' ASN . 21.4 m -108.91 154.29 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.602 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 61.8 p-90 -127.79 178.37 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 108.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.4 m-20 -171.75 164.5 6.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -136.91 119.24 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.5 HG21 HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -142.64 157.63 44.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.452 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' C ' HG23 ' A' ' 32' ' ' THR . 17.3 m-20 49.72 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.654 ' HA ' HD23 ' A' ' 79' ' ' LEU . 35.9 p -156.63 43.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HD2' ' CD2' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -152.03 178.35 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 40.3 t -122.33 108.3 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 30' ' ' THR . 34.1 mt -82.17 107.49 14.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.852 HD11 HD12 ' A' ' 77' ' ' LEU . 75.7 mt -97.1 149.52 21.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -152.88 143.6 22.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.636 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.3 p90 -160.31 151.36 19.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 108.035 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -176.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -102.62 161.46 13.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -123.84 117.46 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -108.32 129.83 55.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.988 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -94.51 133.46 38.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.1 OUTLIER -83.67 168.79 15.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.591 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 20.0 tt0 -37.5 139.43 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 6.4 t-20 90.56 -38.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 43' ' ' ALA . 19.1 mp0 -87.03 160.09 18.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.72 133.61 39.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 93' ' ' THR . 2.7 pt-20 -63.33 162.7 11.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 72.2 t -89.07 120.02 37.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.8 p -103.4 -6.22 22.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.32 -169.3 38.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.666 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 78.8 m-85 -149.15 164.24 35.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.977 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 27.4 mttt -122.2 117.16 25.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.662 ' HB ' HD22 ' A' ' 68' ' ' LEU . 35.5 t -90.23 109.52 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.527 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 44.1 m-85 -99.58 100.03 10.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 66' ' ' GLN . 17.0 p90 -109.48 136.21 49.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -156.7 141.52 17.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.484 HG22 ' H ' ' A' ' 60' ' ' SER . 25.6 m -56.36 173.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.409 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.484 ' H ' HG22 ' A' ' 59' ' ' THR . 59.3 p -39.44 -31.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.961 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -133.2 -70.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.75 159.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -77.19 -73.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -125.91 120.14 29.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 57' ' ' TYR . 9.2 p -57.52 151.89 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 35.7 mt-30 -106.03 155.69 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 32.1 t -113.98 144.38 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.662 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -128.57 132.65 48.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.77 126.86 31.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.484 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -142.01 114.6 8.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -91.46 46.43 1.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 -178.63 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 1.2 p -95.41 6.3 49.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 p -128.22 177.7 6.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.521 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -165.55 168.93 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 27.4 mt-10 -144.64 121.54 11.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.852 HD12 HD11 ' A' ' 36' ' ' LEU . 5.6 mt -118.69 -178.22 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.2 m -89.76 154.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 32' ' ' THR . 3.7 pp -63.08 148.38 92.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.3 Cg_endo -74.93 155.15 43.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -87.63 -66.17 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 83' ' ' GLU . 10.7 mttt -141.07 -85.06 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.6 OUTLIER -37.84 140.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 60' ' ' SER . 0.5 OUTLIER -48.06 174.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.609 ' C ' HD12 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -127.96 121.3 29.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.609 HD12 ' C ' ' A' ' 85' ' ' TYR . 1.3 mp -99.36 101.46 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -100.66 143.73 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -138.41 122.23 17.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG11 ' CG ' ' A' ' 38' ' ' TRP . 58.4 t -93.19 134.68 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 2.7 mttm -131.79 152.53 50.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -109.33 130.31 55.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.49 HG23 ' CA ' ' A' ' 53' ' ' TYR . 5.1 p -100.57 151.18 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 49' ' ' GLU . 12.1 p -138.52 -170.42 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 -17.52 61.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.37 7.11 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.171 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 161.4 -126.93 1.66 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -96.47 179.41 5.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.282 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -124.91 -132.66 3.86 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.9 m -104.32 153.39 21.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.404 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 28.6 p -101.38 126.81 48.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.409 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 86.8 p -67.25 168.18 10.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.991 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -51.63 126.36 17.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 25.5 mt-30 -51.27 140.16 17.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.602 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -93.11 160.73 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -132.23 103.58 6.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.498 HG12 ' CD2' ' A' ' 27' ' ' TRP . 13.1 mt -113.15 96.23 38.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.09 9.05 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -38.39 152.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.422 ' O ' HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -89.6 23.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.4 p -95.84 79.47 3.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.76 166.34 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.56 154.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.69 98.58 0.81 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -48.61 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.484 1.781 . . . . 0.0 111.019 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -131.46 -59.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.41 109.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -178.37 82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -150.93 94.16 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.06 -172.43 12.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.84 157.98 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 110.035 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -101.84 161.54 13.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 -131.83 3.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m 63.18 163.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.5 m -122.11 161.97 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -151.4 167.58 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.515 ' C ' HG22 ' A' ' 12' ' ' THR . 69.5 t 63.41 126.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -178.91 -51.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 m -136.4 154.16 50.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.44 159.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -99.42 -178.22 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 p -143.37 158.54 57.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.31 39.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.3 Cg_endo -75.0 139.47 24.32 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m -89.15 34.45 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.108 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -117.67 109.37 41.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.79 42.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.3 Cg_endo -74.97 124.98 9.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.467 1.772 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.12 -172.7 37.21 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' HG13 ' A' ' 26' ' ' VAL . 2.5 t30 51.64 27.1 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.706 HG12 HD11 ' A' ' 104' ' ' ILE . 38.6 t -67.19 92.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 37' ' ' ASN . 17.1 m -108.26 164.99 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.646 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 54.9 p-90 -140.87 178.28 7.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 108.052 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -168.99 162.35 11.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.59 119.91 15.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' THR . 0.1 OUTLIER -139.72 145.83 38.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.47 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' C ' HG23 ' A' ' 32' ' ' THR . 35.5 m-20 52.74 -89.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.477 HG23 ' C ' ' A' ' 31' ' ' ASP . 35.5 p -155.48 44.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 177.21 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 49.0 t -131.91 103.55 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 46.8 mt -82.51 112.45 19.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 HG21 ' A' ' 87' ' ' ILE . 25.7 mt -97.13 155.69 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.463 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -161.51 123.29 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.614 ' CD1' HG11 ' A' ' 89' ' ' VAL . 46.8 p90 -142.98 149.04 37.79 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -176.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -107.28 161.74 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.7 t -118.82 121.13 66.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -113.02 114.69 27.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.754 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -75.84 150.51 37.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -67.19 -174.48 0.37 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -80.44 5.54 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -127.76 25.49 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 18' ' ' PRO . 1.9 mm-40 -142.05 -174.54 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -105.51 127.09 52.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.763 ' O ' HG22 ' A' ' 93' ' ' THR . 3.1 pt-20 -61.85 166.03 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.887 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 49.8 t -94.24 120.16 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 69.2 p -96.26 -16.82 21.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -171.46 -160.1 19.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.887 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 70.4 m-85 -157.16 161.94 39.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.462 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 70.1 mttt -122.01 116.97 25.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.721 ' HB ' HD22 ' A' ' 68' ' ' LEU . 32.3 t -89.29 103.0 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.651 ' CE2' ' CG2' ' A' ' 67' ' ' VAL . 57.7 m-85 -89.39 100.99 13.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.503 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 24.9 p90 -110.45 136.74 49.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 4.7 ptm180 -152.73 154.02 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.488 HG21 ' OE2' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -76.59 165.8 24.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.83 -30.16 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.013 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -144.4 102.98 3.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -145.53 148.38 33.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 5.4 m-80 -96.24 104.93 16.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 5.3 m120 76.98 105.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 3.9 p -66.38 162.1 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' N ' HG22 ' A' ' 65' ' ' VAL . 7.8 mt-30 -95.84 177.61 5.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 56' ' ' PHE . 23.1 t -138.82 140.84 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.721 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -124.38 123.12 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.37 115.2 18.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.443 HG21 HG23 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -131.31 138.14 49.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -107.51 48.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.9 -165.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -107.32 2.5 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 63.1 p -124.42 -172.64 2.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.39 173.23 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.576 ' C ' HD22 ' A' ' 77' ' ' LEU . 20.9 mt-10 -143.87 115.82 8.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.1 mm? -110.0 -177.99 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.4 m -82.04 175.88 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.68 151.64 80.05 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.63 3.84 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.87 93.81 4.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.422 ' O ' ' CD ' ' A' ' 108' ' ' ARG . 0.1 OUTLIER 57.92 -92.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' OE2' HG21 ' A' ' 59' ' ' THR . 2.3 pt-20 -38.74 141.75 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.25 171.22 2.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.646 ' C ' HD13 ' A' ' 86' ' ' ILE . 1.1 t80 -129.41 121.83 28.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.646 HD13 ' C ' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -100.11 103.77 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.591 HG21 HD11 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -100.04 141.71 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.1 mt-10 -137.49 122.15 18.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 38' ' ' TRP . 57.8 t -92.14 136.82 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.516 ' HE3' ' CE1' ' A' ' 56' ' ' PHE . 1.6 mtmt -136.85 144.69 43.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 53' ' ' TYR . . . -97.97 140.22 32.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.517 HG23 ' HA ' ' A' ' 53' ' ' TYR . 52.4 p -107.18 144.16 34.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 49' ' ' GLU . 5.1 p -138.5 -172.25 3.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -20.01 63.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.18 -36.26 7.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.47 -141.46 8.76 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.24 167.17 21.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.74 -126.27 3.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 m -99.75 147.73 25.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.8 m -98.62 115.93 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.6 p -55.55 162.89 1.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 102' ' ' GLU . 4.7 pt-20 -50.98 121.83 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.604 ' HB2' HG22 ' A' ' 86' ' ' ILE . 1.9 pt20 -47.98 135.75 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.706 HD11 HG12 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -88.12 156.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -127.53 102.2 6.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.525 HG12 ' CD2' ' A' ' 27' ' ' TRP . 30.3 mt -114.04 94.27 33.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.13 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.44 1.758 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -94.07 147.72 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.725 ' O ' HG23 ' A' ' 110' ' ' THR . 1.1 pp -111.02 172.6 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 109' ' ' ILE . 2.1 p -160.59 79.52 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.7 t -155.66 165.46 36.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -110.47 -56.2 2.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.93 113.09 4.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.9 15.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.535 1.808 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m -77.19 -61.32 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.04 79.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 65.4 145.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -148.68 166.95 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.23 112.7 0.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.0 p -168.24 105.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.947 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -162.6 89.88 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 81.79 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 m -125.52 128.92 48.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 m -83.97 119.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -144.4 151.63 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.72 155.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 81.5 p -134.33 113.79 12.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.9 m -80.29 103.28 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.64 152.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -114.2 -171.47 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.4 p -146.49 154.64 49.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 18.3 Cg_endo -75.0 163.58 35.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.494 1.786 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.3 Cg_endo -75.04 -18.85 18.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.0 m 59.12 15.68 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HG2' HG22 ' A' ' 41' ' ' VAL . 3.2 tt0 -102.26 112.07 65.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.68 42.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' CG ' HG12 ' A' ' 89' ' ' VAL . 18.3 Cg_endo -75.03 138.12 22.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.3 -171.87 25.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.468 ' O ' HG13 ' A' ' 26' ' ' VAL . 5.0 t30 48.39 24.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD11 ' A' ' 104' ' ' ILE . 37.0 t -64.37 93.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 24' ' ' ASN . 26.2 m -106.1 166.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.672 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 68.0 p-90 -143.9 178.33 7.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 8.3 m120 -167.83 162.94 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HB1' HD11 ' A' ' 109' ' ' ILE . . . -138.13 110.3 7.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.484 HG22 ' CD2' ' A' ' 35' ' ' LEU . 2.8 t -152.6 163.39 39.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.727 ' C ' HG23 ' A' ' 32' ' ' THR . 0.0 OUTLIER 46.91 26.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER 65.88 37.08 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' THR . 7.5 ttmm -143.24 159.93 41.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 28' ' ' ASN . 53.4 t -112.57 113.6 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.67 ' N ' HD22 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -97.34 112.86 24.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.802 HD11 HD12 ' A' ' 77' ' ' LEU . 51.6 mt -97.22 146.32 25.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 26' ' ' VAL . 10.9 m-80 -153.66 131.56 11.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . 49.3 p90 -145.93 154.58 42.1 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -175.86 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -101.3 164.71 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 50' ' ' VAL . 3.4 t -127.61 114.25 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -110.12 118.63 36.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 140.59 49.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.493 ' O ' ' C ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -100.8 -161.52 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' A' ' 44' ' ' MET . 1.1 tp10 30.4 -141.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.08 23.51 4.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 44' ' ' MET . 0.2 OUTLIER -69.47 168.26 14.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m -91.42 126.89 36.66 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 109.99 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 93' ' ' THR . 3.2 pt-20 -66.84 165.18 15.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.739 ' CG1' ' HB1' ' A' ' 91' ' ' ALA . 77.3 t -85.28 123.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -94.58 -14.35 25.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.462 ' O ' ' CG1' ' A' ' 50' ' ' VAL . . . -176.9 -154.08 11.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' HA ' HG23 ' A' ' 92' ' ' THR . 78.5 m-85 -156.79 167.03 31.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 0.733 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HB3' HG13 ' A' ' 67' ' ' VAL . 43.4 mttt -135.85 117.87 15.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.69 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.3 t -90.26 113.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.706 ' CZ ' ' CG2' ' A' ' 67' ' ' VAL . 36.5 m-85 -99.84 100.22 11.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.674 ' O ' HG23 ' A' ' 65' ' ' VAL . 21.2 p90 -109.61 135.91 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.026 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.516 HH12 HG21 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -156.92 139.83 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.434 HG22 ' CB ' ' A' ' 83' ' ' GLU . 1.7 m -62.14 168.38 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -61.66 104.75 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.07 74.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.55 -152.96 0.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.419 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 4.2 t30 -138.1 91.75 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 63' ' ' ASN . 1.1 m-20 76.22 114.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 57' ' ' TYR . 5.1 p -86.82 148.46 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.1 167.7 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' A' ' 56' ' ' PHE . 7.6 t -121.26 150.78 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.69 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -127.5 126.26 41.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -75.13 131.85 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.06 110.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -88.5 48.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.25 -179.63 8.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 38' ' ' TRP . 0.9 OUTLIER -95.97 7.49 46.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.401 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.6 p -131.07 176.5 8.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.41 178.01 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HG2' HD12 ' A' ' 35' ' ' LEU . 52.8 mt-10 -150.02 122.66 8.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.802 HD12 HD11 ' A' ' 36' ' ' LEU . 19.6 mt -118.65 -178.26 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -103.18 153.08 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 HD23 ' CA ' ' A' ' 32' ' ' THR . 4.2 pp -61.47 142.1 94.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 18.5 Cg_endo -74.95 165.93 30.32 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.472 1.775 . . . . 0.0 111.014 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.0 mm -107.87 -64.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.55 159.88 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.366 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.434 ' CB ' HG22 ' A' ' 59' ' ' THR . 3.9 mt-10 61.72 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' SER . 1.1 m-20 -53.2 169.27 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.1 OUTLIER -121.56 122.01 38.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.636 HG22 ' HB2' ' A' ' 103' ' ' GLN . 1.9 mm -100.27 112.16 32.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -108.83 137.73 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.0 OUTLIER -132.85 127.52 34.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.48 HG12 ' CG ' ' A' ' 22' ' ' PRO . 91.6 t -107.25 141.58 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.647 ' CE ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -154.14 127.94 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB1' ' CG1' ' A' ' 50' ' ' VAL . . . -68.03 153.63 43.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.561 HG23 ' HA ' ' A' ' 53' ' ' TYR . 82.8 p -112.07 140.28 46.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 49' ' ' GLU . 3.1 p -131.64 169.3 16.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.45 -16.83 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.99 -38.3 8.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 93' ' ' THR . . . 152.84 170.88 19.68 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -41.49 151.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -97.13 -132.19 7.31 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.13 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.451 ' O ' ' CB ' ' A' ' 90' ' ' LYS . 6.4 m -101.69 154.42 18.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.6 p -100.81 110.09 22.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' OE2' ' A' ' 88' ' ' GLU . 9.2 p -52.98 178.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.95 121.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.636 ' HB2' HG22 ' A' ' 86' ' ' ILE . 5.1 pt20 -48.53 137.02 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.759 HD11 HG12 ' A' ' 25' ' ' VAL . 1.1 mt -88.12 160.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -128.04 102.36 6.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.572 HG12 ' CE3' ' A' ' 27' ' ' TRP . 49.7 mt -119.22 97.92 50.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.11 3.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.5 138.03 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.719 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -66.87 144.18 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.6 p -61.77 139.19 58.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 98.8 p -166.23 73.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.22 -47.15 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -143.73 73.61 0.34 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -41.1 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.553 1.817 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 38.5 t 50.93 88.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 30.5 t -169.56 92.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.552 1.157 . . . . 0.0 110.982 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -144.16 170.79 15.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.23 171.95 7.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.974 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.69 -148.87 18.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -172.57 170.54 4.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.967 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.72 171.83 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.68 -178.52 21.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -155.45 151.52 27.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.419 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 m -76.57 -176.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -156.06 -172.63 4.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 m -125.14 173.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 12' ' ' THR . 2.6 t -170.01 109.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -98.02 155.54 17.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 tptt 67.23 138.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.82 -176.81 3.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 p -144.95 158.03 53.24 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -75.02 151.05 38.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.835 ' HG3' ' HB2' ' A' ' 43' ' ' ALA . 18.5 Cg_endo -74.97 141.77 27.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.56 34.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -115.31 109.34 46.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 157.5 42.65 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.2 Cg_endo -74.98 128.22 11.32 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.78 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.16 -179.77 34.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 t-20 58.63 24.44 12.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 0.723 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.646 HG12 HD11 ' A' ' 104' ' ' ILE . 21.4 t -66.23 92.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 24' ' ' ASN . 19.2 m -110.21 154.72 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.649 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 65.0 p-90 -125.65 178.81 5.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -170.04 168.2 8.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.33 117.01 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 1.019 HG22 HD21 ' A' ' 35' ' ' LEU . 5.7 t -130.06 164.01 25.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' C ' ' CG2' ' A' ' 32' ' ' THR . 4.5 m-20 41.69 -93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.874 ' HA ' HD11 ' A' ' 79' ' ' LEU . 11.2 p -151.99 43.54 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -151.95 -178.3 6.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' C ' HD13 ' A' ' 35' ' ' LEU . 24.1 t -117.8 133.71 63.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -108.89 133.16 53.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 35' ' ' LEU . 25.5 mt -117.2 149.61 40.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.34 122.52 5.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.598 ' HB2' HG22 ' A' ' 25' ' ' VAL . 48.9 p90 -139.9 153.77 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 108.033 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -169.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.497 ' HB3' HG21 ' A' ' 73' ' ' THR . 28.3 pt20 -113.82 146.96 39.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.5 t -103.16 113.46 39.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -108.39 113.19 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' ' HG3' ' A' ' 18' ' ' PRO . . . -70.81 154.59 41.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.408 ' HE2' ' HB3' ' A' ' 44' ' ' MET . 2.6 ptp -72.89 -170.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 pt-20 -85.08 19.9 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 6.2 t30 -142.19 30.59 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' CD ' ' HA ' ' A' ' 18' ' ' PRO . 1.8 mt-10 -152.45 -174.42 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 m -103.92 132.06 50.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -68.01 161.41 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.868 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 77.9 t -90.59 126.83 43.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 72.8 p -108.9 -9.36 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.534 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -168.69 -166.77 28.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.868 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 75.5 m-85 -157.63 164.88 36.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -124.49 117.5 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HB ' HD22 ' A' ' 68' ' ' LEU . 26.5 t -90.54 99.56 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 22.1 m-85 -86.89 100.89 12.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 66' ' ' GLN . 27.9 p90 -109.82 135.69 50.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 3.4 ptm180 -157.01 133.34 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' CB ' ' A' ' 83' ' ' GLU . 2.7 m -58.54 165.9 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -60.19 92.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 60' ' ' SER . 0.1 OUTLIER 78.3 90.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -125.04 -162.54 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -86.93 -79.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 -129.54 120.3 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 10.4 p -57.64 151.63 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . 40.0 mt-30 -100.48 169.91 8.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.8 t -126.62 137.49 57.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -122.16 127.64 50.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.69 129.51 34.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.449 HG21 HG23 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -146.95 114.45 6.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.367 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -89.95 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -150.68 -175.87 5.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -100.33 6.6 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.56 -179.0 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.442 ' HB2' ' HH2' ' A' ' 38' ' ' TRP . . . -170.25 172.02 6.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.632 ' C ' HD22 ' A' ' 77' ' ' LEU . 67.6 mt-10 -148.85 120.04 7.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.632 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.2 mm? -109.42 -178.13 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.3 m -86.94 -168.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.874 HD11 ' HA ' ' A' ' 32' ' ' THR . 31.2 mt -96.22 142.87 25.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HG3' HG22 ' A' ' 106' ' ' ILE . 18.2 Cg_endo -75.01 131.38 14.21 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.648 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -69.87 -69.31 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 83' ' ' GLU . 3.7 mttt -132.12 -91.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 82' ' ' LYS . 0.7 OUTLIER -37.16 141.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.637 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.3 t80 -130.67 121.44 25.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 86' ' ' ILE . 1.3 mp -100.1 109.72 25.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.484 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -106.42 145.25 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' PHE . 1.6 mt-10 -139.01 122.19 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.566 HG11 ' CD1' ' A' ' 38' ' ' TRP . 60.4 t -91.96 127.96 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' O ' ' CA ' ' A' ' 53' ' ' TYR . 7.3 mttm -126.12 152.06 46.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 98' ' ' GLY . . . -106.45 147.62 29.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HA ' ' A' ' 53' ' ' TYR . 14.1 p -122.03 143.85 49.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.436 HG21 ' HD3' ' A' ' 18' ' ' PRO . 69.0 p -138.05 -168.83 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.64 -13.1 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.67 -22.93 22.53 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 92' ' ' THR . . . 137.46 -139.58 10.6 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.43 -176.85 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 91' ' ' ALA . . . -137.12 -137.35 3.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.8 m -96.39 155.57 16.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 0.758 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 12.5 p -104.08 131.48 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -68.31 178.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.168 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.03 125.57 24.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 1.143 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' HG3' ' CG ' ' A' ' 88' ' ' GLU . 11.3 mt-30 -51.41 132.67 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.649 ' CG2' ' CD1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -87.46 160.27 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -132.94 104.1 6.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.472 HG12 ' CE3' ' A' ' 27' ' ' TRP . 5.8 mt -115.53 105.32 52.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 108' ' ' ARG . 18.3 Cg_endo -74.96 157.19 43.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -49.49 179.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.36 136.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 110' ' ' THR . 44.3 p -55.72 158.19 3.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.62 -55.1 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m 40.17 87.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -132.88 -159.69 9.27 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.101 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -179.37 4.92 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.539 1.81 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.61 166.52 22.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.67 125.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -133.98 168.37 18.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 t -121.06 169.36 10.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.23 71.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -159.07 -166.94 1.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 110.009 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -140.75 107.57 5.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.55 -138.55 4.13 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.3 t -169.82 152.32 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 110.436 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.17 177.5 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -159.82 121.73 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.96 148.91 30.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 12' ' ' THR . 3.7 t -119.51 99.05 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -130.84 89.93 2.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.7 -175.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -118.05 -170.81 1.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -146.84 154.11 47.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 156.42 42.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.58 ' HD3' HG21 ' A' ' 93' ' ' THR . 18.2 Cg_endo -75.04 142.84 28.22 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.549 1.815 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -89.43 27.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.044 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -117.62 110.42 40.59 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 162.02 37.69 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 18.4 Cg_endo -74.98 124.27 8.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.32 -173.31 41.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 50.13 30.38 4.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 0.744 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 104' ' ' ILE . 88.0 t -68.24 91.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG23 HD22 ' A' ' 37' ' ' ASN . 19.6 m -106.36 -176.63 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CD1' HG21 ' A' ' 104' ' ' ILE . 51.9 p-90 -158.59 178.39 10.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.06 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -163.32 160.07 23.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.45 120.89 16.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.809 HG22 HD21 ' A' ' 35' ' ' LEU . 9.4 t -145.48 162.71 36.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.399 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' C ' HG23 ' A' ' 32' ' ' THR . 4.7 m-20 39.11 -93.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 30' ' ' THR . 71.1 p -153.27 49.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.66 176.91 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 76' ' ' GLU . 38.3 t -133.61 104.68 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.809 HD21 HG22 ' A' ' 30' ' ' THR . 0.5 OUTLIER -82.32 119.44 24.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 87' ' ' ILE . 35.6 mt -104.03 149.83 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.514 HD22 HG23 ' A' ' 26' ' ' VAL . 3.4 m-80 -154.67 128.69 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' CD1' HG11 ' A' ' 89' ' ' VAL . 47.8 p90 -147.11 150.73 35.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 107.999 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -177.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -104.93 163.33 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.3 t -120.81 123.35 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -113.4 117.43 31.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.739 ' HB1' ' CB ' ' A' ' 47' ' ' GLU . . . -76.25 140.16 41.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.21 -170.6 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 46' ' ' ASN . 26.4 tt0 -45.71 129.71 9.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 45' ' ' GLU . 8.4 t-20 85.19 -53.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.739 ' CB ' ' HB1' ' A' ' 43' ' ' ALA . 1.6 mt-10 -51.54 142.15 14.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 0.4 OUTLIER -84.16 140.33 31.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.678 ' O ' HG22 ' A' ' 93' ' ' THR . 2.9 pt-20 -68.59 161.69 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 110.312 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.869 HG11 ' CZ ' ' A' ' 53' ' ' TYR . 63.2 t -91.62 124.84 44.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.0 p -107.24 -9.99 15.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.38 -177.03 43.22 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.869 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 69.1 m-85 -146.49 159.01 43.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 0.797 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' HD3' HG11 ' A' ' 67' ' ' VAL . 71.4 mttt -117.55 121.91 42.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.684 ' HB ' HD22 ' A' ' 68' ' ' LEU . 39.9 t -93.44 100.79 11.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.678 ' CE1' HG22 ' A' ' 67' ' ' VAL . 66.1 m-85 -88.65 101.17 13.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.596 ' HB2' ' HH ' ' A' ' 85' ' ' TYR . 26.4 p90 -111.39 136.05 51.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' CG2' ' A' ' 65' ' ' VAL . 2.7 ptm180 -156.81 141.59 16.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 83' ' ' GLU . 3.8 m -59.4 172.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 m -149.39 99.29 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.47 -165.86 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -96.88 -78.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -124.29 125.39 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG2' ' HG2' ' A' ' 58' ' ' ARG . 7.8 p -59.39 154.14 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 57' ' ' TYR . 15.2 mt-30 -99.2 178.15 5.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.678 HG22 ' CE1' ' A' ' 56' ' ' PHE . 49.0 t -136.03 147.1 28.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD22 ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -133.3 123.52 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.23 123.26 26.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.5 122.39 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.367 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -92.96 25.15 3.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -134.44 -175.37 3.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.03 7.44 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.2 p -129.56 -174.68 3.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -170.19 174.99 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' C ' HD22 ' A' ' 77' ' ' LEU . 38.6 mt-10 -144.97 115.86 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 77' ' ' LEU . 1.6 mm? -108.71 -178.45 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -94.18 157.71 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.783 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -66.2 142.13 97.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD2' ' CG2' ' A' ' 109' ' ' ILE . 18.3 Cg_endo -74.94 129.19 12.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.768 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.6 mp -87.89 -61.53 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.5 150.23 51.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.2 OUTLIER 65.47 142.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.284 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -53.86 175.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' C ' HD12 ' A' ' 86' ' ' ILE . 1.2 t80 -129.02 121.52 28.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.726 HG23 ' HB2' ' A' ' 103' ' ' GLN . 1.2 mp -98.85 114.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.468 HG21 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -111.19 136.29 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -131.23 123.27 28.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.3 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.592 HG11 ' CD1' ' A' ' 38' ' ' TRP . 43.5 t -93.12 138.72 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -139.52 146.44 39.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . . . -98.14 143.8 28.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 53' ' ' TYR . 32.9 p -112.34 142.94 44.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.432 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 49' ' ' GLU . 15.0 p -137.95 173.85 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.441 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -11.09 47.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.57 -36.37 5.89 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.127 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 160.14 -136.54 4.6 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.25 178.52 5.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -124.25 -141.02 5.66 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.7 m -98.66 148.41 23.85 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 110.386 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.4 p -95.71 123.54 39.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -69.01 162.14 27.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 4.8 pt-20 -47.93 120.03 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.726 ' HB2' HG23 ' A' ' 86' ' ' ILE . 3.3 pt20 -49.34 137.67 14.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -86.89 150.78 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -119.71 102.51 8.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 27' ' ' TRP . 15.0 mt -112.92 98.9 46.92 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 108' ' ' ARG . 18.4 Cg_endo -75.02 157.24 42.82 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 107' ' ' PRO . 7.0 mtp180 -38.52 138.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 111' ' ' SER . 0.6 OUTLIER -72.9 163.06 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.1 t -115.8 -35.63 4.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 110.44 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.639 ' N ' HD12 ' A' ' 109' ' ' ILE . 0.5 OUTLIER 168.68 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 109.974 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.415 ' H ' HD13 ' A' ' 109' ' ' ILE . 19.6 m 55.49 67.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.66 99.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 89.62 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.43 1.752 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.65 128.73 51.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 12.9 m 48.1 80.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.98 . . . . . . . . 0 0 . 1 stop_ save_