data_1v31_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 1v31 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.59 135.87 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 128.61 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' CG1' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -75.69 154.07 36.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.8 p -82.31 165.59 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.86 -43.31 85.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 -46.29 27.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.56 -32.3 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' SER . 24.7 mtm -73.87 -29.68 62.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -10.1 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' A' ' 39' ' ' TYR . 8.3 t -83.86 -52.07 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.57 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.49 0.88 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 ' CG1' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -111.98 -169.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.42 -44.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -138.03 105.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -131.8 -179.35 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 60.8 p -89.9 -162.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.605 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.4 ttp180 -82.83 -45.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.02 -57.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' PRO . 83.4 mtt180 -35.51 -41.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.2 mt -71.39 -63.0 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 69.2 mt -43.85 -43.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -70.83 -47.8 57.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.52 -30.07 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.453 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 93.7 mt -82.85 -35.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.7 m0 -61.64 -50.66 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE2' HG11 ' A' ' 21' ' ' VAL . 49.8 t80 -43.05 -54.34 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 38.0 t -46.18 -63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' LYS . 25.4 mttt -55.89 -46.77 78.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.94 -44.12 40.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.93 23.71 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LYS . 25.0 mtmt 41.4 47.04 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.26 -27.67 18.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -38.99 141.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.4 132.57 23.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -53.3 -46.71 69.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -128.72 119.2 20.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.7 21.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -90.53 -28.38 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.8 m-85 -99.54 161.17 13.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 10.3 p90 -146.68 143.58 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -70.35 164.18 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.1 p -100.41 151.24 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.91 -50.41 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.14 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 21' ' ' VAL . . . -93.68 -19.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.0 -25.4 55.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -66.75 -64.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -39.42 -30.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 61' ' ' GLN . 80.3 t -74.41 -67.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CG ' HD11 ' A' ' 69' ' ' LEU . 58.0 m-85 -85.27 -64.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 116.62 -6.43 18.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.66 145.29 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.06 -41.14 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pttp -144.36 160.3 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -145.4 170.02 17.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 9.6 mttt -84.45 159.72 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' SER . 10.2 m-85 -79.12 -14.0 59.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 p -101.56 -40.12 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.479 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 4.6 mmt -55.2 -32.74 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 78' ' ' ILE . 64.1 t -42.88 -37.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.434 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 5.6 t -60.57 -46.59 89.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' MET . 9.2 pt20 -90.6 26.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 20.0 mmtt -134.9 -50.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.5 pp -67.03 -34.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' LEU . 73.6 p -41.37 -58.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -44.28 -42.97 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.81 -36.72 73.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 32.9 mt -57.03 136.35 56.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -141.35 161.8 50.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.98 9.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -150.38 131.37 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -60.39 172.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CD2' HG13 ' A' ' 24' ' ' ILE . 1.9 mp -119.26 152.21 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -80.65 174.12 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.81 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -86.6 -45.1 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 63' ' ' VAL . 4.8 tp -64.03 -20.58 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.4 mtm -76.86 -36.32 56.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 0.4 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 21.5 t -86.5 -50.35 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 7.0 mt -106.15 -51.51 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.7 25.18 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 27' ' ' GLU . 2.8 pt -116.49 155.47 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' C ' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -105.3 -26.89 11.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -160.79 110.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 2.9 tp10 -133.57 166.91 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 51.8 p -62.99 -170.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp180 -81.36 -44.57 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.94 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.49 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.3 mmp_? -41.34 -43.96 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 28' ' ' THR . 39.4 mt -68.25 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 57.3 mt -42.46 -45.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.75 -50.31 65.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 22' ' ' LEU . . . -45.5 -37.84 5.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 60.1 mt -78.41 -34.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 22.8 m0 -59.47 -43.29 93.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -75.79 -61.31 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.611 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 64.7 t80 -36.89 -38.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 76.7 t -68.19 -62.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -36.99 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.96 -40.16 79.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -89.54 21.75 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.64 38.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.0 mt -85.63 -26.25 26.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 40' ' ' VAL . 66.0 tt0 -42.29 151.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.37 131.17 29.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -30.88 6.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -78.22 -65.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -97.54 113.4 63.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.85 21.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.0 m -94.72 -11.38 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -114.08 178.16 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -167.41 156.87 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -74.86 132.77 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.28 102.43 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -53.44 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -74.18 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.8 mt -43.09 -28.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.64 -67.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -41.02 -29.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 18' ' ' LEU . 79.4 t -77.26 -67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CG ' HD12 ' A' ' 69' ' ' LEU . 62.8 m-85 -77.05 -67.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.61 1.81 24.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -111.47 143.03 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.4 pt-20 -50.55 -44.42 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -137.7 158.67 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.69 167.68 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 22.1 mttt -87.97 155.09 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.92 -16.75 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -98.15 -43.25 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.469 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 66.4 mmm -53.62 -29.74 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 78' ' ' ILE . 68.9 t -43.4 -34.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -66.35 -45.43 80.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.3 OUTLIER -90.53 28.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 13.4 mmtt -135.86 -52.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' CG ' ' A' ' 82' ' ' LEU . 1.2 pp -67.3 -32.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -47.28 -33.1 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' ILE . 95.9 m-70 -80.07 -30.64 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' CG ' HD13 ' A' ' 78' ' ' ILE . 37.1 mt -56.09 113.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m -115.4 158.66 40.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 123.12 7.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mttp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -131.82 159.5 38.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -87.17 145.35 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 146.23 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.2 170.13 16.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -63.21 -39.12 93.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.2 -48.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.37 -42.26 98.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.11 -14.37 23.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.95 -6.96 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -87.32 -52.12 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mt -100.49 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.5 35.2 0.94 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.15 -169.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -145.69 -45.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -139.76 98.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.9 tp10 -127.44 174.12 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.6 p -75.06 -166.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.594 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.3 ttm-85 -82.52 -46.0 0.93 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.0 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.6 mmp_? -35.73 -39.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.3 mt -73.83 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 85.6 mt -44.37 -44.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.64 -50.25 52.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.87 -29.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 95.7 mt -84.76 -40.28 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.0 m0 -56.44 -40.61 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -73.28 -62.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -40.59 -43.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 69.7 t -59.85 -56.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -34.87 76.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.41 97.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.66 8.33 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 55.08 35.21 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 60' ' ' LEU . 44.6 mt -79.92 -27.82 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -41.49 143.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -97.36 132.31 25.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.05 -47.86 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -127.14 120.01 22.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.71 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -91.51 -41.19 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -85.96 177.6 7.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 47.6 p90 -165.83 155.96 12.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -71.67 143.57 49.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -115.17 105.92 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.27 -171.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.15 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -70.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 45' ' ' LEU . 49.2 mt -42.92 -31.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.54 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -42.55 -29.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.429 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 73.9 t -75.17 -69.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CG ' HD11 ' A' ' 69' ' ' LEU . 50.2 m-85 -81.77 -64.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 109.99 18.91 8.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.59 143.5 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -46.11 -48.26 17.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 1.4 pttm -138.54 166.23 24.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -148.5 167.04 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 18.0 mttt -88.28 143.84 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' SER . 4.5 m-85 -62.08 -21.52 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.7 p -90.98 -43.41 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.492 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 21.9 mmt -52.05 -37.52 53.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 78' ' ' ILE . 83.2 t -41.94 -35.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -62.02 -51.37 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -91.06 31.45 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -133.08 -46.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.479 HD12 ' CG ' ' A' ' 82' ' ' LEU . 1.5 pp -66.3 -34.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 53.7 p -41.49 -57.9 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -37.47 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 78' ' ' ILE . 98.4 m-70 -77.36 -38.48 50.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' CG ' HD12 ' A' ' 78' ' ' ILE . 48.1 mt -53.6 138.27 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 156.52 76.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.66 8.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -118.36 133.9 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -63.57 135.3 56.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD12 ' CG1' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.05 153.88 22.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 165.39 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -59.65 -34.49 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -85.13 -44.72 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 63' ' ' VAL . 9.9 tp -62.7 -25.16 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 23.1 mtm -78.05 -36.48 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.46 -15.12 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 60' ' ' LEU . 75.2 t -77.89 -39.44 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 9.8 mt -110.62 -61.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 119.59 36.01 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG1' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -114.16 -170.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -143.88 -44.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -137.42 102.35 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.1 tp10 -132.67 171.89 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 61.5 p -81.32 -162.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.9 ttm180 -83.1 -44.68 0.86 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.6 Cg_endo -74.95 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PRO . 79.7 mtt-85 -35.63 -40.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 28' ' ' THR . 45.7 mt -73.62 -62.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 62.7 mt -42.62 -40.91 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.93 -48.54 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -46.58 -34.54 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.433 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 69.3 mt -78.11 -35.79 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -59.92 -46.79 88.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 2.9 t-160 -70.55 -60.45 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -42.31 -52.53 4.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 45' ' ' LEU . 39.4 t -50.0 -61.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' LYS . 13.3 mtpt -54.82 -50.34 68.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -34.98 29.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 45' ' ' LEU . 1.1 mmp_? -95.43 26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 2.2 mmtt 41.5 29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' CD2' ' OD1' ' A' ' 57' ' ' ASP . 38.2 mt -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -41.5 132.89 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.18 132.72 79.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -34.98 3.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -78.74 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 95.7 m-20 -99.54 113.37 64.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.77 21.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -88.13 -28.27 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.2 m-85 -98.97 -179.16 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 8.2 p90 -166.87 153.41 8.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -80.37 152.62 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -93.82 140.72 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.64 -69.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -177.62 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.4 -22.24 30.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 21' ' ' VAL . 16.8 mt -73.62 -22.4 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.59 -65.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -39.24 -30.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 18' ' ' LEU . 92.8 t -76.27 -67.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.514 ' CG ' HD12 ' A' ' 69' ' ' LEU . 53.7 m-85 -79.58 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.14 9.75 17.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -117.27 164.98 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 12.8 pt-20 -71.93 -40.32 68.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.76 155.14 44.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -140.94 169.85 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 24.1 mttt -87.86 157.28 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 m-85 -76.79 -10.27 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.3 p -105.8 -40.43 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.47 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 59.5 mmm -55.04 -37.09 66.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 78' ' ' ILE . 53.0 t -40.4 -36.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 m -58.42 -51.2 70.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER -89.77 31.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 20.1 mmtt -135.25 -48.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.465 HD13 ' CG ' ' A' ' 82' ' ' LEU . 1.5 pp -71.62 -34.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.1 p -45.37 -47.8 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -50.51 -42.03 54.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 88.3 m-70 -71.85 -41.27 68.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 66.5 mt -48.46 144.5 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.81 162.41 26.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.41 9.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 m-85 -121.64 122.02 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -50.55 145.84 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' CG1' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -94.73 155.72 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 169.89 13.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.8 m -58.55 -49.23 78.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -46.56 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 63' ' ' VAL . 6.0 tp -56.95 -35.77 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLY . 18.4 mtm -69.57 -36.56 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.45 -12.28 59.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.76 -41.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 6.9 mt -110.09 -61.53 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 118.94 34.62 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.467 ' CG1' HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -112.18 -169.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -144.65 -45.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 t -136.62 100.11 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.8 tp10 -126.99 -177.33 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.522 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 67.8 p -92.7 -168.8 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.448 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.9 ttp180 -81.33 -45.24 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.5 mmp_? -52.26 -50.59 61.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 28' ' ' THR . 60.5 mt -62.25 -63.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 71.6 mt -39.42 -48.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.02 -49.08 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -46.16 -30.9 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.92 -37.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.5 m0 -59.55 -47.39 85.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -67.48 -57.56 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 42' ' ' ALA . 31.0 t80 -42.82 -57.99 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -41.07 -60.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -60.65 -32.91 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' TYR . . . -52.43 -61.27 2.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.0 mpt_? -86.93 33.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.5 mptt 38.49 56.41 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -93.57 -31.04 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -39.27 143.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.497 HD21 ' ND2' ' A' ' 55' ' ' ASN . 1.2 t-20 -99.49 137.43 20.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -44.24 -48.49 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -132.85 123.59 18.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.94 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' PHE . 1.9 t -78.3 -35.55 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.0 m-85 -94.18 169.36 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 7.7 p90 -154.61 147.79 24.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' HD21 ' A' ' 47' ' ' ASN . 59.9 m-80 -74.22 152.67 39.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.14 151.1 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -96.48 -49.49 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.11 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.54 -21.17 20.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -74.94 -25.65 59.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.58 -65.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -30.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 18' ' ' LEU . 80.1 t -74.57 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 69' ' ' LEU . 61.9 m-85 -84.29 -64.91 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.13 6.28 18.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -114.24 139.1 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.04 -40.23 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -141.33 161.82 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -147.43 163.79 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.568 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.7 mtpt -82.68 161.54 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.7 m-85 -83.07 -14.97 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 p -100.81 -34.38 9.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.467 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 65.9 mmm -64.29 -25.6 68.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 78' ' ' ILE . 72.6 t -49.74 -32.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -63.21 -48.05 79.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.81 30.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -136.34 -47.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.9 pp -68.0 -33.09 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 p -44.88 -51.8 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -49.2 -35.49 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.402 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.5 m-70 -81.61 -34.85 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.577 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 42.5 mt -55.6 128.2 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -146.75 165.96 17.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.06 26.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.411 ' CD2' HD12 ' A' ' 82' ' ' LEU . 25.8 m-85 -129.98 129.02 43.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -57.93 152.18 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.94 150.64 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.19 168.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.6 m -59.82 -39.78 86.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -45.27 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD11 ' CG1' ' A' ' 63' ' ' VAL . 7.8 tp -60.03 -27.49 66.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.5 mtm -77.74 -22.73 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -9.68 43.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -85.76 -27.61 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 35' ' ' ALA . 6.3 mt -124.14 -65.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.98 37.25 0.72 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.87 -169.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -143.28 -44.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -140.06 104.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.2 tp10 -126.14 -161.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 40.5 p -112.16 -162.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.6 ttp180 -81.37 -44.76 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.08 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 89.0 mtt-85 -36.6 -46.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.2 mt -67.42 -63.73 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 89.6 mt -40.34 -44.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.75 -49.93 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD12 ' A' ' 22' ' ' LEU . . . -45.33 -27.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.2 -39.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 30.2 m0 -59.09 -52.28 66.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -60.24 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.62 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 43' ' ' ARG . 44.6 t80 -38.38 -57.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.33 -68.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -55.48 -36.63 66.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.24 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 43' ' ' ARG . 13.3 mmp_? -104.14 16.88 25.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp 47.76 41.71 14.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' CD2' ' OD1' ' A' ' 57' ' ' ASP . 40.3 mt -85.11 -27.92 25.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -38.91 144.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -104.47 131.22 22.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -41.93 -33.43 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -153.06 117.61 2.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.93 21.55 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -14.09 58.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -116.83 176.39 5.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.9 p90 -162.24 145.42 11.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.37 155.95 31.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -90.08 159.29 16.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -103.82 -48.71 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 162.44 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.32 -16.8 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -78.4 -21.96 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -69.31 -63.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLN . 3.2 mmmt -39.6 -30.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 81' ' ' HIS . 79.0 t -75.79 -68.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 69' ' ' LEU . 37.0 m-85 -85.47 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 108.61 16.51 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.95 136.67 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -42.5 -45.62 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' CE ' ' CD1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -140.1 159.06 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -143.18 170.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mttt -87.39 145.4 26.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.55 -19.22 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -91.86 -46.76 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 61.6 mmm -48.14 -35.2 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' A' ' 78' ' ' ILE . 57.9 t -39.83 -61.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 91.7 p -38.1 -49.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.3 tt0 -69.97 -55.99 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -50.73 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.0 pp -40.25 -39.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -47.5 -48.8 27.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -54.63 -36.53 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.504 ' CD2' HG12 ' A' ' 63' ' ' VAL . 96.7 m-70 -80.22 -36.87 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 12.7 mt -52.48 120.92 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 156.3 66.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.8 7.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.443 1.76 . . . . 0.0 111.026 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.37 137.26 54.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.3 tttm -64.14 138.67 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 158.11 22.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -83.46 165.74 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -57.79 -36.85 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.63 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 63' ' ' VAL . 8.5 tp -60.13 -38.21 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.84 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -3.47 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.524 HG13 ' CE2' ' A' ' 39' ' ' TYR . 55.5 t -89.89 -27.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.6 -57.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.53 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.42 -170.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.89 -43.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -155.8 101.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.42 166.79 11.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.502 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 p -71.57 157.71 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.599 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 ttm180 -52.4 -45.69 95.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 6.7 mmt180 -77.26 -56.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 28' ' ' THR . 49.6 mt -52.76 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 82.6 mt -41.77 -56.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -56.55 -50.55 71.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.8 -45.97 5.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 77.9 mt -71.21 -36.99 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 24.0 m0 -58.91 -52.33 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -65.24 -61.06 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CE2' HG13 ' A' ' 21' ' ' VAL . 54.4 t80 -38.81 -54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 72.3 t -51.74 -56.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -51.82 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -92.05 14.64 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.69 38.66 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 38.8 mt -83.35 -25.08 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -40.41 146.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.43 129.71 31.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.22 -47.98 66.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -130.66 120.16 18.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -11.65 21.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.29 -28.65 27.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -101.37 172.47 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.7 p90 -156.35 156.09 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.3 140.74 43.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -107.29 108.89 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.9 -174.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.3 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -75.07 -71.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD1' HD11 ' A' ' 45' ' ' LEU . 23.0 mt -41.69 -29.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.4 mt-30 -64.5 -63.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -28.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 18' ' ' LEU . 73.6 t -79.72 -69.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CD1' HD11 ' A' ' 69' ' ' LEU . 58.1 m-85 -75.55 -65.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.94 9.89 21.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -115.46 167.58 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.8 -38.12 62.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -146.38 162.03 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.19 164.1 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 7.6 mttt -83.35 148.45 27.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.53 -15.49 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.8 p -97.91 -39.12 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 69.0 mmm -62.0 -28.47 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' ILE . 39.7 t -40.24 -63.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.46 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 70.8 p -40.37 -53.91 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.61 -43.18 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 29.0 mmtt -71.76 -70.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.5 pp -38.57 -32.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -45.24 -56.52 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.96 -30.91 16.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.459 ' CD2' HG11 ' A' ' 63' ' ' VAL . 89.3 m-70 -83.31 -30.76 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 25.5 mt -60.4 111.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.7 m -123.06 161.08 46.73 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -134.61 142.01 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.96 167.49 19.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.59 151.42 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 169.56 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -56.49 -45.1 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.72 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 63' ' ' VAL . 6.3 tp -57.84 -39.16 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mtp -65.74 -10.15 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -0.68 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.5 t -91.51 -43.59 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 35' ' ' ALA . 12.4 mt -113.63 -55.08 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.22 33.86 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pt -120.54 158.42 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.91 -28.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -159.02 112.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.4 tp10 -137.33 167.35 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.471 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 81.7 p -62.39 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -83.92 -43.99 0.78 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 9.7 mmp_? -36.37 -44.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 50.6 mt -68.35 -63.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 74.8 mt -45.0 -46.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.12 -49.47 69.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -46.34 -37.94 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -78.53 -32.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.0 m0 -61.94 -48.12 81.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -69.84 -45.94 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.636 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.451 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 41.3 t80 -52.15 -55.71 19.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -40.08 -59.1 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' TYR . . . -47.77 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 10.7 mpt_? -86.27 32.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER 38.49 40.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 60' ' ' LEU . 30.0 mt -76.65 -28.79 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -41.84 147.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.33 131.8 25.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.64 -58.72 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 119.33 40.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.29 20.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t -86.58 -16.22 37.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -109.81 179.81 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.2 p90 -168.41 156.48 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.45 136.1 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.1 m -102.05 105.58 16.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.32 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.65 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' LEU . . . -69.76 -68.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . 77.5 mt -40.29 -34.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -61.37 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.26 -30.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG2' HD12 ' A' ' 18' ' ' LEU . 85.2 t -77.8 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.532 ' CD1' HD13 ' A' ' 69' ' ' LEU . 72.7 m-85 -76.85 -67.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.12 -1.09 22.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.89 137.72 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -46.98 -44.4 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -134.94 156.76 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.03 168.15 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 13.6 mttt -88.6 151.77 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 m-85 -72.86 -17.33 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -97.03 -41.14 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 76.9 mmm -57.99 -32.06 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 78' ' ' ILE . 55.7 t -41.76 -28.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 73' ' ' MET . 8.9 m -67.73 -51.61 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' MET . 10.3 pt20 -89.27 34.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.441 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 6.6 mmtt -136.03 -54.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 82' ' ' LEU . 1.5 pp -63.29 -26.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.7 p -49.58 -49.57 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -49.48 -29.24 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 86.3 m-70 -88.61 -35.56 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 78' ' ' ILE . 80.2 mt -51.8 129.78 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -130.59 159.13 72.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.16 8.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 6.9 mttp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 50.3 m-85 -162.83 144.56 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -76.78 149.35 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.16 153.11 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 m -82.43 169.58 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 m -57.98 -40.0 79.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.84 -46.55 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 63' ' ' VAL . 5.7 tp -60.9 -30.98 70.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtp -72.01 -23.34 61.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.67 -1.4 40.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.2 -36.63 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 35' ' ' ALA . 2.4 mt -119.06 -57.57 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.8 33.26 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -116.92 164.35 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.83 -39.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.79 100.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 2.4 tp10 -124.21 -159.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 79.5 p -111.38 -165.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.25 -44.9 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CB ' ' HG3' ' A' ' 27' ' ' GLU . 1.3 mmp_? -41.47 -51.97 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 28' ' ' THR . 57.8 mt -60.86 -63.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 87.7 mt -40.67 -50.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.35 -50.71 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -44.72 -34.21 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 97.1 mt -82.92 -37.26 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.1 m0 -59.15 -54.19 49.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -60.6 -67.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE1' ' HG3' ' A' ' 43' ' ' ARG . 36.2 t80 -37.96 -56.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 27.3 t -43.51 -64.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -56.86 -49.07 76.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.9 -25.66 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 3.7 mmm180 -104.07 21.85 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 44.77 37.37 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 57' ' ' ASP . 24.7 mt -83.76 -31.52 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -38.82 141.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.46 131.05 39.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -74.94 -60.67 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.09 114.74 63.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.85 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -15.67 51.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -111.81 173.24 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 11.0 p90 -156.14 146.94 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -77.09 154.68 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.2 p -89.56 152.41 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.8 m-20 -95.91 -50.89 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.19 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.9 -24.94 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.24 -20.48 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.44 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -39.83 -30.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 18' ' ' LEU . 77.0 t -72.9 -64.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 69' ' ' LEU . 26.4 m-85 -92.86 -63.39 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.78 1.25 25.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.54 150.03 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -55.73 -44.66 77.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.9 159.42 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.35 169.57 17.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 15.5 mttt -85.45 146.59 26.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 21.0 m-85 -70.74 -10.49 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -101.43 -45.64 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.48 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 53.5 mmm -50.22 -33.28 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 78' ' ' ILE . 45.2 t -42.07 -59.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.468 ' CB ' HD12 ' A' ' 33' ' ' ILE . 2.5 t -38.49 -34.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' MET . 2.0 tt0 -85.37 -55.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 24.3 mmtt -51.22 -52.42 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 pp -55.14 -38.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -50.85 -43.36 59.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -17.95 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ILE . 94.2 m-70 -99.08 -36.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 19.5 mt -54.89 125.56 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 m -128.55 155.93 78.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.23 7.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 2.9 mtpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -133.5 135.06 44.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -66.33 131.37 45.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 24' ' ' ILE . 3.5 mp -75.22 168.56 19.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 169.33 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -58.92 -30.43 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.29 -44.42 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.62 -34.3 76.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG3' ' CB ' ' A' ' 14' ' ' LEU . 10.3 mtp -66.46 -18.21 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.1 -20.29 13.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.55 -31.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -119.86 -60.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.63 0.88 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -120.06 174.56 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -117.55 -35.49 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -166.24 104.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -117.85 166.69 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 16.0 p -71.04 156.34 39.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.7 ttm180 -50.94 -46.08 87.7 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -12.2 21.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.535 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 8.2 mmp_? -92.89 -52.6 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 53.5 mt -55.24 -57.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 62.1 mt -48.68 -58.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -51.22 -49.9 60.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.504 ' C ' ' CD2' ' A' ' 22' ' ' LEU . . . -44.84 -32.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 59.7 mt -82.89 -38.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ALA . 27.0 m0 -60.99 -49.91 75.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.7 t-160 -62.26 -55.8 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' ALA . 43.7 t80 -48.64 -55.33 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 53.3 t -42.11 -52.35 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -36.84 85.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . . . -44.84 -60.19 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 3.2 mpt_? -86.75 22.13 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 46.14 50.62 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 37.4 mt -84.92 -18.22 35.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -47.92 139.32 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 125.96 57.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.52 9.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -73.99 -55.38 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.42 114.31 45.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.61 20.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -18.25 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.6 m-85 -110.03 177.73 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 35.4 p90 -159.0 148.05 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -65.73 157.71 29.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.7 p -103.96 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -130.62 -174.08 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.53 1.54 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.03 -44.55 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 13.7 mt -66.92 -29.11 68.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.3 mt-30 -64.48 -56.76 12.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -28.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 81' ' ' HIS . 77.0 t -79.14 -69.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 69' ' ' LEU . 37.5 m-85 -82.93 -63.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 103.67 8.84 39.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -106.32 149.85 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.51 -43.23 68.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -150.61 158.79 44.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.92 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.5 mttt -87.42 137.83 32.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 12.8 m-85 -58.79 -16.71 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 p -95.23 -46.08 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 46.0 mmm -50.18 -35.66 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 78' ' ' ILE . 53.7 t -39.29 -63.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 18.7 t -37.01 -44.14 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.82 -47.44 53.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' CE ' HD22 ' A' ' 69' ' ' LEU . 15.1 mmtt -63.96 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 pp -39.85 -39.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.62 -52.01 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -44.63 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 63' ' ' VAL . 97.4 m-70 -70.67 -33.06 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 15.5 mt -58.81 116.54 3.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.56 162.84 50.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.19 7.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -119.34 122.63 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -47.97 146.09 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.15 146.09 25.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 167.13 19.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -60.19 -36.43 77.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.79 -44.88 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 63' ' ' VAL . 4.5 tp -61.17 -26.24 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.4 mtm -77.68 -40.19 42.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.92 -17.41 61.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.6 t -72.0 -49.75 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.8 -61.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.3 35.92 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.71 -172.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -44.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.94 91.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -116.17 162.23 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.414 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 22.5 p -80.93 -173.45 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.4 ttm180 -81.66 -45.48 1.08 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -9.1 20.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HB3' ' CG ' ' A' ' 27' ' ' GLU . 72.0 mtt180 -87.73 -52.51 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CD1' HD21 ' A' ' 82' ' ' LEU . 42.7 mt -57.68 -62.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 72.5 mt -39.78 -54.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -61.04 -50.91 71.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.53 -42.53 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -74.13 -38.51 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 21.8 m0 -56.42 -35.44 67.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.37 -61.12 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -39.69 -40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 50.1 t -60.73 -65.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -55.57 -42.7 75.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.46 81.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -83.83 6.48 21.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.33 51.76 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.3 -27.44 14.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -41.46 133.23 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.0 128.59 78.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.58 20.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.52 -52.6 4.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -112.27 114.09 51.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.2 21.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -87.82 -20.71 25.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.1 m-85 -109.36 177.61 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 16.9 p90 -159.27 147.17 17.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.1 157.47 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.8 p -105.63 160.51 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 108.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -124.98 -174.02 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.5 1.96 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.71 -51.03 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.19 -36.06 80.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.04 -52.07 66.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.32 -29.45 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 18' ' ' LEU . 54.3 t -82.2 -72.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CG ' HD11 ' A' ' 69' ' ' LEU . 56.5 m-85 -76.61 -64.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 66' ' ' GLU . . . 103.49 7.3 42.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 66' ' ' GLU . 2.2 mp0 -105.13 146.76 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.88 -43.5 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -150.36 158.13 43.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.8 168.77 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 11.8 mttt -86.78 145.15 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 20.3 m-85 -66.3 -14.33 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -98.39 -45.83 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 35.7 mmm -51.23 -32.13 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 78' ' ' ILE . 55.0 t -39.08 -58.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.468 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 86.2 p -43.64 -46.55 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.9 tt0 -66.22 -55.68 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' HIS . 39.6 mmtt -57.68 -68.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' CG1' ' A' ' 74' ' ' VAL . 1.1 pp -38.45 -33.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -49.44 -50.72 39.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -54.62 -20.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.613 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.411 ' NE2' HG12 ' A' ' 63' ' ' VAL . 98.9 m-70 -95.43 -37.47 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CG ' HD11 ' A' ' 78' ' ' ILE . 46.9 mt -54.58 114.78 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -134.11 164.48 43.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.37 25.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.515 1.798 . . . . 0.0 110.991 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 167.01 9.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -113.66 156.69 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -86.4 160.96 18.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -35.25 61.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 -47.03 15.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' CD2' HD23 ' A' ' 14' ' ' LEU . 9.4 tp -58.68 -36.51 74.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.67 -34.25 76.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.28 0.55 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -98.49 -56.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -95.53 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.99 1.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.49 162.19 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.64 -42.91 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.3 t -140.65 108.16 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.1 tp10 -131.09 171.74 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 71.9 p -74.22 -164.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.4 ttp180 -83.51 -45.21 0.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -56.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.5 mmp_? -35.68 -41.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 28' ' ' THR . 56.4 mt -70.29 -61.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 66.4 mt -45.45 -48.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.01 -49.03 74.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 22' ' ' LEU . . . -46.37 -36.52 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.55 -32.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 28.0 m0 -62.83 -57.15 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.5 -63.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.636 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -38.75 -54.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 t -52.18 -50.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -51.28 67.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.54 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.45 19.47 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.98 34.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD12 ' CB ' ' A' ' 57' ' ' ASP . 16.3 mt -77.62 -29.6 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . 53.2 tt0 -38.66 141.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 55' ' ' ASN . 2.2 t-20 -96.87 134.66 22.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.543 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -51.98 -48.12 64.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -127.58 118.41 21.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.63 20.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -85.55 -17.07 37.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 2.2 m-85 -109.57 166.83 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.1 p90 -151.91 145.72 25.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 47' ' ' ASN . 20.6 m-80 -77.27 155.15 32.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.59 156.79 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -100.71 -51.19 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.55 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.12 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.57 -23.02 61.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.07 -64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' GLN . 2.8 mtpp -39.6 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 81' ' ' HIS . 77.1 t -75.8 -65.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CG ' HD13 ' A' ' 69' ' ' LEU . 37.5 m-85 -89.54 -64.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.65 -4.79 26.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.61 144.44 28.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.55 -44.6 62.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -138.15 163.07 32.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -149.29 167.65 25.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.609 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 4.2 mttt -86.75 151.66 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 16.7 m-85 -72.67 -20.05 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -93.68 -44.87 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 45.3 mmm -52.6 -35.42 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' CG1' HG23 ' A' ' 78' ' ' ILE . 42.7 t -40.17 -55.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 47.3 t -37.45 -41.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.6 tt0 -75.42 -60.14 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.56 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.4 pp -47.1 -39.32 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -46.88 -47.6 21.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -57.6 -28.94 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.525 ' CD2' HG11 ' A' ' 63' ' ' VAL . 95.1 m-70 -87.31 -37.38 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 13.4 mt -53.76 119.48 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 160.06 70.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.49 7.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 82' ' ' LEU . 6.6 m-85 -152.88 145.76 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' SER . 12.0 ttmt -74.87 149.18 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mp -96.89 143.06 28.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' MET . 10.4 m -74.43 170.42 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 m -58.64 -26.76 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.89 -46.73 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.34 -22.46 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' SER . 7.9 mtm -77.46 -8.69 58.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 -2.18 13.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 t -93.22 -24.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 35' ' ' ALA . 4.4 mt -126.71 -56.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.96 10.3 8.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 pt -103.77 154.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.1 -24.2 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -167.38 122.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -141.18 161.45 37.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' HG13 ' A' ' 32' ' ' ILE . 69.1 p -55.48 -164.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.631 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 ttp180 -84.09 -44.04 0.76 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.48 ' CD ' ' HG3' ' A' ' 27' ' ' GLU . 89.4 mtt-85 -42.3 -52.04 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 28' ' ' THR . 53.5 mt -60.12 -66.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 91.7 mt -40.99 -49.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.49 -48.04 76.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -46.24 -28.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 77.4 mt -86.11 -36.86 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.6 m0 -62.03 -49.71 74.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -63.29 -57.48 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 45.6 t80 -46.92 -57.6 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 72.6 t -45.55 -64.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -51.77 -53.75 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -28.26 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 57' ' ' ASP . 8.0 mmm180 -101.99 21.45 14.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt 42.49 33.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CB ' HG12 ' A' ' 40' ' ' VAL . 34.3 mt -81.46 -16.02 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -51.87 149.95 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 2.1 m120 -102.29 127.32 30.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.95 4.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -69.72 -59.31 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.5 114.94 52.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.39 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -86.03 -12.37 50.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -112.2 176.91 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 51.5 p90 -160.92 154.16 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 47' ' ' ASN . 4.5 m-80 -76.92 137.54 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 m -100.43 117.38 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 43' ' ' ARG . 27.3 m-20 -71.34 -175.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -30.69 70.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -79.17 -59.75 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.9 mt -47.66 -25.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.25 -66.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -39.97 -29.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG12 ' CD2' ' A' ' 81' ' ' HIS . 72.0 t -75.14 -68.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD1' HD13 ' A' ' 69' ' ' LEU . 49.3 m-85 -80.8 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.02 8.96 25.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.34 159.83 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.58 -48.46 79.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 2.8 pttm -138.53 163.61 31.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -147.34 165.35 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.6 mttt -85.13 133.38 34.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 10.5 m-85 -55.46 -20.07 11.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -90.87 -47.01 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.491 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 74.3 mmm -56.89 -23.27 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 11.5 t -39.71 -57.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 2.8 t -47.86 -54.78 11.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.95 -18.98 15.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.454 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 13.5 mmtt -95.08 -72.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.545 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.7 pp -38.78 -41.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 m -45.25 -47.69 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 6.8 t60 -51.82 -32.96 33.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.512 ' CD2' HG12 ' A' ' 63' ' ' VAL . 93.6 m-70 -87.4 -36.91 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.663 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 44.6 mt -48.03 119.38 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.2 m -131.04 163.6 48.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.64 8.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -138.14 133.09 32.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.61 169.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 158.75 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.9 p -85.46 168.57 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.07 71.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.485 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -82.03 -46.19 14.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 ' CG2' ' A' ' 63' ' ' VAL . 4.3 tp -62.84 -26.68 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' SER . 21.8 mtp -74.58 -32.09 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.56 0.19 57.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 78.4 t -92.84 -50.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 8.1 mt -102.51 -56.25 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.24 1.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.47 156.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.444 ' C ' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -107.78 -25.73 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.444 ' CG1' ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -162.42 111.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 3.0 tp10 -134.08 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 55.8 p -58.51 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.636 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -82.99 -43.72 0.87 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.96 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 3.6 mmt180 -36.18 -44.72 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 54.3 mt -67.51 -64.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 64.6 mt -41.09 -43.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.43 -48.79 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 22' ' ' LEU . . . -46.41 -30.76 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 78' ' ' ILE . 96.6 mt -82.81 -37.07 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 32.9 m0 -60.67 -42.28 96.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -72.84 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -41.24 -47.92 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 45.2 t -55.5 -63.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -52.83 -46.93 67.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.89 70.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.32 10.42 22.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.49 31.27 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 48.0 mt -78.99 -29.31 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -39.77 142.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.18 135.33 22.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -49.55 -60.33 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 53' ' ' PHE . 20.2 t70 -116.88 118.74 36.11 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.35 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -80.65 -14.91 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.3 m-85 -112.6 177.66 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 11.0 p90 -160.31 151.18 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 68.2 m-80 -69.43 151.97 45.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.8 p -92.51 175.87 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 108.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' OD1' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -143.26 -177.27 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.14 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.49 -37.93 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 15.3 mt -73.83 -36.58 64.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.61 -53.75 54.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -46.56 -25.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG12 ' NE2' ' A' ' 81' ' ' HIS . 69.5 t -89.33 -71.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 69' ' ' LEU . 44.7 m-85 -72.65 -65.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.05 16.37 21.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -116.53 163.01 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -66.88 -40.93 87.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -150.13 160.41 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -144.47 165.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 8.5 mtpt -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.67 -17.77 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 p -96.1 -37.61 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.479 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 51.1 mmm -64.75 -22.61 67.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.513 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 23.3 t -42.8 -40.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -41.87 79.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -68.61 -6.9 28.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 78' ' ' ILE . 11.7 mmtt -113.26 -70.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.513 ' CG1' ' O ' ' A' ' 74' ' ' VAL . 1.4 pp -39.98 -34.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 82' ' ' LEU . 27.6 p -45.16 -55.04 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -30.36 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.412 ' NE2' HG12 ' A' ' 63' ' ' VAL . 99.0 m-70 -86.13 -35.64 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CG ' HD11 ' A' ' 78' ' ' ILE . 69.1 mt -54.02 109.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.7 161.9 25.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.91 7.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.6 mttp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -142.47 151.43 41.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.55 152.34 37.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.74 157.62 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 171.3 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.57 -40.02 92.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -78.82 -46.06 19.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 63' ' ' VAL . 11.4 tp -57.7 -38.5 75.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 9.9 mtp -60.84 -43.67 97.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.16 -19.07 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.525 ' O ' ' CZ ' ' A' ' 39' ' ' TYR . 39.5 t -68.74 -39.11 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -114.09 -60.34 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.18 33.38 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -113.56 -169.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -141.93 -44.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 t -146.53 110.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' CB ' HG12 ' A' ' 32' ' ' ILE . 1.7 mt-10 -131.54 151.33 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 31' ' ' ARG . 7.3 p -62.7 157.85 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -47.35 -47.96 57.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.98 -31.55 6.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.54 1.81 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' N ' ' A' ' 28' ' ' THR . 6.0 mmt85 -65.87 -63.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' CD2' ' A' ' 82' ' ' LEU . 48.4 mt -37.49 -66.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 25.3 mt -39.86 -61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -44.86 -48.97 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.76 -35.37 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' CG1' ' A' ' 74' ' ' VAL . 89.7 mt -78.18 -35.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.465 ' NE1' ' CG2' ' A' ' 33' ' ' ILE . 33.7 m0 -61.14 -60.11 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -51.45 -52.48 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 46.5 t80 -51.77 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 45' ' ' LEU . 70.7 t -49.52 -40.35 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -48.41 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HB1' ' CZ ' ' A' ' 43' ' ' ARG . . . -57.92 -49.99 74.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -69.43 -6.88 33.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' GLN . 1.4 mmmp? 71.67 6.9 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 13.4 mt -47.79 -24.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LYS . 63.9 tt0 -40.72 138.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.7 140.31 31.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.79 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -68.58 -70.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 120.47 58.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.34 20.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -83.0 -35.86 25.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 68' ' ' LYS . 1.9 m-85 -85.88 178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 28.7 p90 -168.72 151.1 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -84.59 154.75 22.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.6 p -86.69 142.53 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -82.95 -51.39 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.46 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 -23.04 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 16.0 mt -70.02 -21.4 63.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -65.16 -66.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 ' N ' ' C ' ' A' ' 61' ' ' GLN . 92.9 t -75.03 -66.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CG ' HD13 ' A' ' 69' ' ' LEU . 55.3 m-85 -86.89 -65.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 111.2 11.26 18.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.42 143.3 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mm-40 -47.5 -47.55 27.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -133.5 -177.78 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -168.46 170.38 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.0 mttt -92.83 143.81 25.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' SER . 5.4 m-85 -65.65 -19.36 65.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 p -91.72 -45.53 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 71.0 mmm -54.13 -27.32 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 36' ' ' ILE . 36.8 t -45.86 -26.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -71.48 -44.1 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 73' ' ' MET . 2.4 pt20 -90.44 26.84 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 18.8 mmtt -134.97 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.486 HD13 ' CG ' ' A' ' 82' ' ' LEU . 1.5 pp -64.67 -34.87 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 84.5 p -45.11 -56.14 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -27.38 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.3 m-70 -89.11 -33.71 16.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.486 ' CG ' HD13 ' A' ' 78' ' ' ILE . 86.8 mt -53.22 145.44 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.65 160.61 46.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 124.45 8.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.1 mttm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 82' ' ' LEU . 59.9 m-85 -125.14 134.27 52.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -70.91 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 24' ' ' ILE . 2.8 mp -72.32 166.51 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -95.04 178.07 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -64.04 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.6 -46.11 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.06 -46.93 84.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mtp -58.13 -15.23 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.5 -0.94 29.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.27 -54.05 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 35' ' ' ALA . 16.7 mt -100.04 -57.11 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.46 34.99 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 14' ' ' LEU . 1.3 pt -119.55 158.86 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.484 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 2.0 pt-20 -98.43 -35.84 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -160.88 109.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -121.4 179.04 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 67.2 p -81.1 -163.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.08 -43.6 0.76 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.05 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' PRO . 88.4 mtt-85 -35.75 -45.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' THR . 41.1 mt -68.54 -63.37 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 58.4 mt -42.91 -47.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.89 -50.8 38.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 22' ' ' LEU . . . -46.07 -28.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.36 -38.29 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -57.2 -40.19 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 107.95 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.69 -48.64 18.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 44.0 t80 -52.04 -55.57 19.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.32 -58.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.3 -34.33 72.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' TYR . . . -50.75 -61.21 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.8 mpt_? -86.73 32.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.6 mmtt 39.47 46.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' OD2' ' A' ' 57' ' ' ASP . 40.0 mt -83.65 -35.11 24.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -39.75 143.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -97.41 133.8 23.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -49.89 -48.52 51.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -125.35 120.36 24.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.21 20.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -82.02 -37.26 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -92.23 172.75 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 13.3 p90 -158.94 152.4 22.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -68.84 151.06 47.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.8 p -91.96 -176.03 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' OD2' ' CD1' ' A' ' 45' ' ' LEU . 1.5 m-20 -145.32 -171.22 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.87 -9.94 59.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.0 -35.6 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.32 -28.66 65.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -67.73 -62.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.97 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 81' ' ' HIS . 84.7 t -79.45 -67.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' A' ' 69' ' ' LEU . 64.3 m-85 -83.36 -65.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 104.99 6.73 39.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' A' ' 66' ' ' GLU . 2.0 mp0 -108.85 134.14 51.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 15.1 pt-20 -40.3 -44.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -145.12 160.8 40.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.68 165.25 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 23.0 mttt -84.12 157.36 21.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 52' ' ' SER . 8.0 m-85 -77.14 -14.76 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -100.55 -36.12 9.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 54.7 mmm -62.03 -28.59 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 78' ' ' ILE . 53.7 t -44.68 -30.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 p -67.86 -46.82 70.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' MET . 16.9 pt20 -90.24 29.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -135.93 -52.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.27 -31.03 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.7 p -47.33 -31.54 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -40.45 93.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.568 ' CD2' HG12 ' A' ' 63' ' ' VAL . 96.5 m-70 -74.86 -34.4 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 78' ' ' ILE . 28.3 mt -53.77 121.34 7.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -125.99 164.1 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.77 5.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.031 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -134.73 130.68 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.81 174.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -125.74 159.2 32.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -104.49 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -39.08 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 62' ' ' LYS . . . -73.84 -53.4 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' SER . 8.5 tp -69.14 -28.8 66.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -64.55 -47.31 79.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.42 -26.74 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.79 -59.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 -68.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 124.81 35.19 0.65 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' MET . 1.5 pt -121.19 156.31 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -100.47 -34.66 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.517 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -156.47 117.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB3' HG13 ' A' ' 32' ' ' ILE . 1.8 tp10 -135.75 171.66 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 52.5 p -69.69 -169.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.1 ttp180 -82.58 -44.72 0.94 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -41.62 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.7 mmp_? -50.12 -49.82 50.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 28' ' ' THR . 50.8 mt -64.8 -65.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 94.8 mt -40.81 -45.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.94 -48.01 64.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 96.6 mt -88.56 -34.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.7 m0 -63.9 -52.36 60.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.0 OUTLIER -61.52 -63.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 43.3 t80 -39.63 -57.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 32.2 t -41.43 -62.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -56.25 -33.2 65.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 39' ' ' TYR . . . -53.21 -61.42 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.3 mpt_? -79.97 6.6 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.2 31.74 20.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.67 -17.5 63.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -49.34 146.56 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.36 135.23 21.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -46.56 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -58.04 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.46 118.52 39.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.97 19.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' PHE . 67.5 m -86.27 -15.66 40.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -109.23 176.26 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 18.9 p90 -165.18 156.16 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.02 138.83 41.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.9 m -97.11 114.69 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.98 55.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -85.85 -59.62 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -45.42 -26.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' ALA . 10.9 mt-30 -71.46 -48.53 48.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -53.61 -22.67 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG13 ' CD2' ' A' ' 81' ' ' HIS . 78.7 t -89.3 -70.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CG ' HD11 ' A' ' 69' ' ' LEU . 61.3 m-85 -74.59 -65.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.37 -2.53 32.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.62 143.64 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -50.94 -42.01 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -139.83 168.03 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -156.28 165.65 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.7 mtpt -87.67 156.32 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' SER . 15.7 m-85 -76.87 -12.2 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -102.82 -36.79 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 48.1 mmm -61.71 -24.36 66.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 54.7 t -47.69 -34.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t -65.88 -43.07 89.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.41 25.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -135.69 -46.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -72.11 -29.04 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -47.24 -25.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -40.48 73.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.562 ' CD2' HG13 ' A' ' 63' ' ' VAL . 91.3 m-70 -75.84 -28.31 58.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 78' ' ' ILE . 26.6 mt -61.81 126.05 25.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.97 161.06 63.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 82' ' ' LEU . 28.9 m-85 -125.39 142.45 51.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 174.66 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.72 146.85 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 170.97 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -58.7 -42.55 88.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.94 -47.4 29.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 63' ' ' VAL . 6.9 tp -53.55 -33.37 54.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.11 73.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 4.2 42.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.8 -34.99 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 2.1 mt -127.8 -57.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 31.63 1.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -115.55 158.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 26' ' ' VAL . 13.9 pt-20 -109.0 -43.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 15.3 t -139.13 110.78 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.5 tp10 -133.84 177.5 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 80.6 p -86.31 -168.29 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -80.63 -43.73 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -51.03 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -42.13 -45.08 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 28' ' ' THR . 32.8 mt -70.43 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 34.0 mt -41.62 -42.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -71.71 -52.34 18.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' CD2' ' A' ' 22' ' ' LEU . . . -43.78 -32.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 80.9 mt -80.57 -42.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.1 m0 -51.85 -56.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 42' ' ' ALA . 8.0 t60 -61.57 -65.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' HIS . 50.8 t80 -36.25 -51.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 73.6 t -52.7 -58.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.02 -49.06 79.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 38' ' ' HIS . . . -49.3 -39.95 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.14 24.36 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' LYS . 5.0 mttt 39.87 45.24 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 33.0 mt -88.52 -27.06 21.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -41.75 130.07 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -85.39 134.26 40.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -42.63 -41.87 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.32 126.45 8.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -48.9 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 7.2 m-85 -92.13 161.04 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.5 p90 -145.47 146.85 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.0 155.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.8 p -92.83 132.49 36.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.28 -55.33 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.7 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.05 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mt -77.76 -18.95 55.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -72.59 -65.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 18' ' ' LEU . 87.0 t -78.09 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CG ' ' CD1' ' A' ' 69' ' ' LEU . 36.4 m-85 -91.25 -66.42 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 106.35 19.22 10.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLU . 2.4 mt-10 -120.09 134.01 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . 14.5 pt-20 -38.74 -44.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.1 pttm -145.26 153.64 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CD1' ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -133.79 160.99 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 mtpt -81.65 167.63 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.5 m-85 -96.41 -3.6 43.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.3 p -116.09 -30.55 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.502 ' SD ' ' CD2' ' A' ' 69' ' ' LEU . 2.4 ppp? -83.85 12.47 6.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 38.9 t -75.77 -35.48 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -23.7 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 73' ' ' MET . 4.4 pt20 -95.77 19.78 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -136.66 -55.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.542 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.3 pp -58.17 -37.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 p -38.68 -61.13 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -41.15 -46.22 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.452 ' CB ' HD23 ' A' ' 18' ' ' LEU . 98.6 m-70 -67.09 -42.95 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 24.8 mt -52.42 115.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 158.12 75.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -138.85 127.37 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -59.2 135.44 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.71 159.04 20.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.85 167.22 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -61.77 -41.61 97.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.77 -49.5 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.68 -42.11 87.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.65 -14.11 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -99.06 -15.81 18.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.87 -53.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 24' ' ' ILE . 1.9 mt -94.33 -62.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.57 35.7 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CD1' HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -112.89 -170.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.71 -44.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -135.4 96.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -125.98 160.0 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 71.9 p -67.31 -165.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.1 ttm180 -82.84 -46.14 0.88 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 1.5 mmt180 -36.36 -38.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' THR . 62.5 mt -71.55 -62.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 30.4 mt -40.85 -44.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.88 -48.69 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.95 -29.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 ' CD1' HG22 ' A' ' 78' ' ' ILE . 93.9 mt -84.58 -36.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.9 m0 -60.57 -43.67 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.75 -58.61 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -39.55 -49.24 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 t -54.58 -69.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -49.42 -43.39 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.51 74.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -94.73 16.87 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.27 31.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' OD1' ' A' ' 57' ' ' ASP . 28.1 mt -77.34 -27.52 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.8 tt0 -38.36 146.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.33 134.36 25.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.42 3.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -74.14 -56.24 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.06 117.41 50.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -18.28 18.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 10.8 p -82.62 -28.55 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 1.5 m-85 -100.49 173.0 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 6.3 p90 -162.36 149.71 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.56 149.02 46.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -91.65 138.31 31.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -81.3 -69.32 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -179.54 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.15 -24.24 32.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -72.45 -27.24 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -63.94 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -39.19 -30.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 61' ' ' GLN . 97.1 t -76.56 -62.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.532 ' CG ' ' CD1' ' A' ' 69' ' ' LEU . 47.2 m-85 -90.16 -65.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 107.1 26.76 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.15 143.74 50.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.68 -42.35 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 53' ' ' PHE . 2.4 pttm -140.33 163.81 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.532 ' CD1' ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.4 159.27 44.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.4 mtpt -82.3 171.65 14.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.499 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.0 m-85 -99.53 -8.78 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.6 p -109.33 -29.51 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 69' ' ' LEU . 1.9 ppp? -85.18 15.06 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 17.8 t -82.64 -29.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -27.59 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -97.46 25.05 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CE ' ' SD ' ' A' ' 73' ' ' MET . 10.0 mmtt -136.53 -52.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.493 HD11 ' CG ' ' A' ' 82' ' ' LEU . 1.7 pp -64.12 -34.19 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -40.7 -54.71 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -45.15 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ILE . 97.1 m-70 -68.3 -37.64 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 ' CG ' HD11 ' A' ' 78' ' ' ILE . 31.3 mt -56.99 124.59 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -134.86 161.61 62.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.78 8.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mttt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -131.11 144.78 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 159.27 34.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -111.13 156.86 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -84.63 166.8 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.8 m -56.32 -43.35 78.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -76.06 -46.86 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 63' ' ' VAL . 4.8 tp -60.09 -27.29 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' SER . 25.5 mtp -73.51 -39.46 64.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.18 -11.04 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 71.1 t -80.14 -38.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 11.3 mt -115.7 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.55 36.08 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 14' ' ' LEU . 1.2 pt -124.58 155.32 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.56 -23.78 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -149.69 104.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -131.86 175.73 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.424 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 26.8 p -92.77 -173.36 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.7 ttm180 -81.66 -45.28 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -74.99 -8.78 20.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -89.73 -50.41 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 20.2 mt -62.01 -61.22 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 45.2 mt -39.88 -49.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -66.65 -51.14 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -43.94 -36.2 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 78' ' ' ILE . 88.8 mt -77.06 -40.59 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.5 m0 -53.55 -46.25 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.94 -59.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -38.26 -56.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 45' ' ' LEU . 77.3 t -53.62 -49.77 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -49.77 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.9 -59.32 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -11.94 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER 66.04 42.65 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 61.2 mt -86.15 -20.58 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.402 ' N ' HG11 ' A' ' 40' ' ' VAL . 59.0 tt0 -40.97 137.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' A' ' 49' ' ' ASN . 1.3 m120 -88.12 132.42 39.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 3.1 p-10 -59.4 -54.62 44.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.47 125.26 25.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.92 21.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -84.22 -25.46 29.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -106.56 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 p90 -163.49 151.83 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.3 150.39 49.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 67' ' ' GLU . 14.7 p -91.55 170.43 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.49 -176.06 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.0 -0.44 27.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.02 -47.86 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.4 mt -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.26 -57.98 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.88 -26.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 18' ' ' LEU . 87.4 t -87.76 -71.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CD1' HD11 ' A' ' 69' ' ' LEU . 39.1 m-85 -73.86 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.6 45.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.74 133.33 48.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 12.5 pt-20 -39.87 -41.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 2.6 pttm -140.27 176.0 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -162.6 152.78 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -74.28 171.96 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -98.56 -6.09 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -113.86 -25.16 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.58 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 2.4 ptm -84.03 -4.75 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' LYS . 4.6 t -53.54 -56.86 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' SER . 23.3 t -40.3 -64.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -42.35 -31.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' VAL . 36.7 mmtt -86.53 -79.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.6 pp -37.04 -38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' SER . 60.7 p -38.85 -56.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -45.54 -48.75 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -62.8 -41.21 99.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.1 mt -51.12 131.79 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.02 157.43 64.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.97 9.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.13 -58.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.68 137.89 51.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 -137.5 3.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -141.72 79.78 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.62 118.11 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.976 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.09 -132.72 21.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -53.5 156.03 4.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -122.73 132.73 54.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -123.83 146.76 48.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.59 135.87 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 128.61 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD13 ' CG1' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -75.69 154.07 36.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.8 p -82.31 165.59 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.86 -43.31 85.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 -46.29 27.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -59.56 -32.3 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' SER . 24.7 mtm -73.87 -29.68 62.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -10.1 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 HG11 ' CE2' ' A' ' 39' ' ' TYR . 8.3 t -83.86 -52.07 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.57 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.49 0.88 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 ' CG1' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -111.98 -169.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.42 -44.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -138.03 105.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -131.8 -179.35 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 60.8 p -89.9 -162.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.605 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.4 ttp180 -82.83 -45.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.02 -57.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' PRO . 83.4 mtt180 -35.51 -41.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.2 mt -71.39 -63.0 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 69.2 mt -43.85 -43.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -70.83 -47.8 57.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.52 -30.07 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.453 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 93.7 mt -82.85 -35.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.7 m0 -61.64 -50.66 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE2' HG11 ' A' ' 21' ' ' VAL . 49.8 t80 -43.05 -54.34 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 38.0 t -46.18 -63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' LYS . 25.4 mttt -55.89 -46.77 78.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.94 -44.12 40.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.93 23.71 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LYS . 25.0 mtmt 41.4 47.04 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.3 mt -91.26 -27.67 18.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -38.99 141.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.4 132.57 23.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -53.3 -46.71 69.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -128.72 119.2 20.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.7 21.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -90.53 -28.38 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.8 m-85 -99.54 161.17 13.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 10.3 p90 -146.68 143.58 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -70.35 164.18 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.1 p -100.41 151.24 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.91 -50.41 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.14 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' CG2' ' A' ' 21' ' ' VAL . . . -93.68 -19.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.0 -25.4 55.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -66.75 -64.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -39.42 -30.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' A' ' 61' ' ' GLN . 80.3 t -74.41 -67.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.554 ' CG ' HD11 ' A' ' 69' ' ' LEU . 58.0 m-85 -85.27 -64.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 116.62 -6.43 18.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.66 145.29 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.06 -41.14 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pttp -144.36 160.3 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -145.4 170.02 17.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 9.6 mttt -84.45 159.72 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' SER . 10.2 m-85 -79.12 -14.0 59.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 p -101.56 -40.12 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.479 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 4.6 mmt -55.2 -32.74 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 78' ' ' ILE . 64.1 t -42.88 -37.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.434 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 5.6 t -60.57 -46.59 89.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' MET . 9.2 pt20 -90.6 26.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 20.0 mmtt -134.9 -50.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.5 pp -67.03 -34.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' LEU . 73.6 p -41.37 -58.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -44.28 -42.97 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.81 -36.72 73.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 32.9 mt -57.03 136.35 56.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -141.35 161.8 50.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.98 9.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 167.47 26.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.3 m -118.84 111.91 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.0 172.41 16.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.03 42.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.43 166.91 25.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -145.43 -58.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m 61.22 159.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -135.65 122.37 21.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.88 80.97 1.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.54 110.88 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.18 129.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.95 121.5 3.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.9 m -52.12 156.88 2.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.53 3.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' CG ' ' CZ ' ' A' ' 12' ' ' PHE . 15.1 pt-20 -114.32 -174.33 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -110.44 165.79 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CZ ' ' CG ' ' A' ' 10' ' ' GLU . 55.0 m-85 -150.38 131.37 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -60.39 172.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CD2' HG13 ' A' ' 24' ' ' ILE . 1.9 mp -119.26 152.21 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -80.65 174.12 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.81 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -86.6 -45.1 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 63' ' ' VAL . 4.8 tp -64.03 -20.58 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.4 mtm -76.86 -36.32 56.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 0.4 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 21.5 t -86.5 -50.35 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 7.0 mt -106.15 -51.51 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.7 25.18 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 27' ' ' GLU . 2.8 pt -116.49 155.47 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' C ' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -105.3 -26.89 11.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 0.6 OUTLIER -160.79 110.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 24' ' ' ILE . 2.9 tp10 -133.57 166.91 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 51.8 p -62.99 -170.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp180 -81.36 -44.57 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.94 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.3 mmp_? -41.34 -43.96 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 28' ' ' THR . 39.4 mt -68.25 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 57.3 mt -42.46 -45.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.75 -50.31 65.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 22' ' ' LEU . . . -45.5 -37.84 5.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 60.1 mt -78.41 -34.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 22.8 m0 -59.47 -43.29 93.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -75.79 -61.31 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.611 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 64.7 t80 -36.89 -38.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 76.7 t -68.19 -62.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -36.99 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.96 -40.16 79.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -89.54 21.75 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.64 38.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.0 mt -85.63 -26.25 26.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 40' ' ' VAL . 66.0 tt0 -42.29 151.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.37 131.17 29.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -30.88 6.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -78.22 -65.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -97.54 113.4 63.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.85 21.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.0 m -94.72 -11.38 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -114.08 178.16 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -167.41 156.87 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -74.86 132.77 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.28 102.43 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -53.44 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -74.18 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.8 mt -43.09 -28.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.64 -67.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -41.02 -29.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 18' ' ' LEU . 79.4 t -77.26 -67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CG ' HD12 ' A' ' 69' ' ' LEU . 62.8 m-85 -77.05 -67.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.61 1.81 24.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -111.47 143.03 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.4 pt-20 -50.55 -44.42 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -137.7 158.67 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.69 167.68 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 22.1 mttt -87.97 155.09 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.92 -16.75 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -98.15 -43.25 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.469 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 66.4 mmm -53.62 -29.74 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG1' HG21 ' A' ' 78' ' ' ILE . 68.9 t -43.4 -34.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -66.35 -45.43 80.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.3 OUTLIER -90.53 28.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 13.4 mmtt -135.86 -52.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' CG ' ' A' ' 82' ' ' LEU . 1.2 pp -67.3 -32.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -47.28 -33.1 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' ILE . 95.9 m-70 -80.07 -30.64 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' CG ' HD13 ' A' ' 78' ' ' ILE . 37.1 mt -56.09 113.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m -115.4 158.66 40.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 123.12 7.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 146.03 32.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -63.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 -57.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.61 110.15 2.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.9 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.2 p -101.38 158.31 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.11 141.13 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.068 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.42 162.35 41.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.25 164.09 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 -101.89 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -103.91 -62.95 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 0.791 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p 63.78 164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 -58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -95.89 144.4 27.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.0 -169.73 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.13 135.09 53.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -124.29 149.74 46.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -131.82 159.5 38.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -87.17 145.35 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.6 146.23 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.2 170.13 16.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -63.21 -39.12 93.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.2 -48.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.37 -42.26 98.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.11 -14.37 23.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.95 -6.96 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -87.32 -52.12 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mt -100.49 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.5 35.2 0.94 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.15 -169.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -145.69 -45.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -139.76 98.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.476 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.9 tp10 -127.44 174.12 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.6 p -75.06 -166.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.594 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.3 ttm-85 -82.52 -46.0 0.93 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.0 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.6 mmp_? -35.73 -39.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.3 mt -73.83 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 85.6 mt -44.37 -44.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.64 -50.25 52.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.87 -29.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 95.7 mt -84.76 -40.28 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.0 m0 -56.44 -40.61 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -73.28 -62.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -40.59 -43.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 69.7 t -59.85 -56.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -34.87 76.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.41 97.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.66 8.33 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 55.08 35.21 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 60' ' ' LEU . 44.6 mt -79.92 -27.82 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -41.49 143.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -97.36 132.31 25.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.05 -47.86 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -127.14 120.01 22.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.71 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -91.51 -41.19 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -85.96 177.6 7.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 47.6 p90 -165.83 155.96 12.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -71.67 143.57 49.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -115.17 105.92 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.27 -171.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.15 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.26 -70.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 45' ' ' LEU . 49.2 mt -42.92 -31.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.54 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -42.55 -29.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.429 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 73.9 t -75.17 -69.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CG ' HD11 ' A' ' 69' ' ' LEU . 50.2 m-85 -81.77 -64.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 109.99 18.91 8.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.59 143.5 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -46.11 -48.26 17.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 1.4 pttm -138.54 166.23 24.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.541 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -148.5 167.04 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 18.0 mttt -88.28 143.84 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' SER . 4.5 m-85 -62.08 -21.52 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.7 p -90.98 -43.41 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.492 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 21.9 mmt -52.05 -37.52 53.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 78' ' ' ILE . 83.2 t -41.94 -35.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.44 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -62.02 -51.37 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -91.06 31.45 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -133.08 -46.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.479 HD12 ' CG ' ' A' ' 82' ' ' LEU . 1.5 pp -66.3 -34.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 53.7 p -41.49 -57.9 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -37.47 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 78' ' ' ILE . 98.4 m-70 -77.36 -38.48 50.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' CG ' HD12 ' A' ' 78' ' ' ILE . 48.1 mt -53.6 138.27 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 156.52 76.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.66 8.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.31 5.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -77.28 135.05 38.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.98 -144.78 4.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.5 4.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.49 135.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t 65.03 97.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t 50.16 91.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.23 163.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.6 -93.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.17 -53.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.985 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.82 77.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.41 170.6 2.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.3 m -51.06 154.39 2.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 167.16 27.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -119.22 131.22 55.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -83.65 157.73 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -118.36 133.9 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -63.57 135.3 56.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 HD12 ' CG1' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.05 153.88 22.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 165.39 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -59.65 -34.49 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -85.13 -44.72 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 63' ' ' VAL . 9.9 tp -62.7 -25.16 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 23.1 mtm -78.05 -36.48 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.46 -15.12 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CG1' HD21 ' A' ' 60' ' ' LEU . 75.2 t -77.89 -39.44 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 9.8 mt -110.62 -61.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 119.59 36.01 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.431 ' CG1' HD12 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -114.16 -170.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -143.88 -44.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -137.42 102.35 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.1 tp10 -132.67 171.89 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 61.5 p -81.32 -162.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.9 ttm180 -83.1 -44.68 0.86 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.6 Cg_endo -74.95 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PRO . 79.7 mtt-85 -35.63 -40.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 28' ' ' THR . 45.7 mt -73.62 -62.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 62.7 mt -42.62 -40.91 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.93 -48.54 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -46.58 -34.54 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.433 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 69.3 mt -78.11 -35.79 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -59.92 -46.79 88.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.424 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 2.9 t-160 -70.55 -60.45 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -42.31 -52.53 4.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' CB ' ' A' ' 45' ' ' LEU . 39.4 t -50.0 -61.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' LYS . 13.3 mtpt -54.82 -50.34 68.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -34.98 29.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 45' ' ' LEU . 1.1 mmp_? -95.43 26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 2.2 mmtt 41.5 29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' CD2' ' OD1' ' A' ' 57' ' ' ASP . 38.2 mt -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -41.5 132.89 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.18 132.72 79.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -34.98 3.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -78.74 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 95.7 m-20 -99.54 113.37 64.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.77 21.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -88.13 -28.27 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.2 m-85 -98.97 -179.16 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 8.2 p90 -166.87 153.41 8.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -80.37 152.62 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -93.82 140.72 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.64 -69.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -177.62 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.4 -22.24 30.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD21 ' CG1' ' A' ' 21' ' ' VAL . 16.8 mt -73.62 -22.4 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.59 -65.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -39.24 -30.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.473 ' CG2' HD13 ' A' ' 18' ' ' LEU . 92.8 t -76.27 -67.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.514 ' CG ' HD12 ' A' ' 69' ' ' LEU . 53.7 m-85 -79.58 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.14 9.75 17.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -117.27 164.98 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 12.8 pt-20 -71.93 -40.32 68.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.76 155.14 44.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -140.94 169.85 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 24.1 mttt -87.86 157.28 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 m-85 -76.79 -10.27 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.3 p -105.8 -40.43 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.47 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 59.5 mmm -55.04 -37.09 66.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 78' ' ' ILE . 53.0 t -40.4 -36.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 m -58.42 -51.2 70.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER -89.77 31.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 20.1 mmtt -135.25 -48.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.465 HD13 ' CG ' ' A' ' 82' ' ' LEU . 1.5 pp -71.62 -34.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.1 p -45.37 -47.8 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -50.51 -42.03 54.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 88.3 m-70 -71.85 -41.27 68.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 29' ' ' ARG . 66.5 mt -48.46 144.5 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.81 162.41 26.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.41 9.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.19 14.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.798 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -41.31 129.88 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.4 -147.23 19.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 75.38 3.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -75.85 -59.75 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.5 p -143.64 132.11 22.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.19 85.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 -58.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.64 -132.96 2.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.76 90.69 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -52.19 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.71 -88.17 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 13.3 p -148.62 141.22 15.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.05 178.77 6.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.43 -174.79 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -105.7 142.05 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 m-85 -121.64 122.02 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -50.55 145.84 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD11 ' CG1' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -94.73 155.72 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 169.89 13.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.8 m -58.55 -49.23 78.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.99 -46.56 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 63' ' ' VAL . 6.0 tp -56.95 -35.77 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLY . 18.4 mtm -69.57 -36.56 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.45 -12.28 59.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.7 t -80.76 -41.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 6.9 mt -110.09 -61.53 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 118.94 34.62 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.467 ' CG1' HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -112.18 -169.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -144.65 -45.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 t -136.62 100.11 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.8 tp10 -126.99 -177.33 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.522 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 67.8 p -92.7 -168.8 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.448 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.9 ttp180 -81.33 -45.24 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.5 mmp_? -52.26 -50.59 61.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 28' ' ' THR . 60.5 mt -62.25 -63.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 71.6 mt -39.42 -48.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.02 -49.08 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -46.16 -30.9 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.92 -37.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.5 m0 -59.55 -47.39 85.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -67.48 -57.56 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 42' ' ' ALA . 31.0 t80 -42.82 -57.99 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.0 t -41.07 -60.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -60.65 -32.91 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' TYR . . . -52.43 -61.27 2.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.0 mpt_? -86.93 33.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.5 mptt 38.49 56.41 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.2 mt -93.57 -31.04 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -39.27 143.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.497 HD21 ' ND2' ' A' ' 55' ' ' ASN . 1.2 t-20 -99.49 137.43 20.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -44.24 -48.49 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -132.85 123.59 18.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.94 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' PHE . 1.9 t -78.3 -35.55 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.0 m-85 -94.18 169.36 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 7.7 p90 -154.61 147.79 24.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' ND2' HD21 ' A' ' 47' ' ' ASN . 59.9 m-80 -74.22 152.67 39.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.14 151.1 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -96.48 -49.49 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.11 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -92.54 -21.17 20.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -74.94 -25.65 59.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.58 -65.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -30.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 18' ' ' LEU . 80.1 t -74.57 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 69' ' ' LEU . 61.9 m-85 -84.29 -64.91 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.13 6.28 18.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -114.24 139.1 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.04 -40.23 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -141.33 161.82 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -147.43 163.79 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.568 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.7 mtpt -82.68 161.54 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.7 m-85 -83.07 -14.97 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 p -100.81 -34.38 9.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.467 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 65.9 mmm -64.29 -25.6 68.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 78' ' ' ILE . 72.6 t -49.74 -32.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -63.21 -48.05 79.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.81 30.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -136.34 -47.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 1.9 pp -68.0 -33.09 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 p -44.88 -51.8 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -49.2 -35.49 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.402 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.5 m-70 -81.61 -34.85 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.577 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 42.5 mt -55.6 128.2 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -146.75 165.96 17.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 141.06 26.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.35 5.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.85 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 t 68.32 66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.31 82.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.09 4.63 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m 61.83 134.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 m -106.26 84.79 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -125.14 167.39 14.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -163.81 -58.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.9 114.03 3.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.26 129.88 46.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.83 150.01 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.78 -144.28 17.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 13.2 p -80.11 141.26 54.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.3 Cg_endo -75.01 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 12' ' ' PHE . 6.7 tt0 -121.71 126.69 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 10' ' ' GLU . 25.8 m-85 -129.98 129.02 43.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -57.93 152.18 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.94 150.64 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.19 168.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.6 m -59.82 -39.78 86.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -45.27 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD11 ' CG1' ' A' ' 63' ' ' VAL . 7.8 tp -60.03 -27.49 66.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.5 mtm -77.74 -22.73 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -9.68 43.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -85.76 -27.61 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 35' ' ' ALA . 6.3 mt -124.14 -65.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.98 37.25 0.72 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.87 -169.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -143.28 -44.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -140.06 104.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.2 tp10 -126.14 -161.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.519 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 40.5 p -112.16 -162.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.6 ttp180 -81.37 -44.76 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.08 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 89.0 mtt-85 -36.6 -46.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.2 mt -67.42 -63.73 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 89.6 mt -40.34 -44.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.75 -49.93 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' CB ' HD12 ' A' ' 22' ' ' LEU . . . -45.33 -27.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.2 -39.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 30.2 m0 -59.09 -52.28 66.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -60.24 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.62 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 43' ' ' ARG . 44.6 t80 -38.38 -57.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 t -41.33 -68.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -55.48 -36.63 66.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.24 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 43' ' ' ARG . 13.3 mmp_? -104.14 16.88 25.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp 47.76 41.71 14.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' CD2' ' OD1' ' A' ' 57' ' ' ASP . 40.3 mt -85.11 -27.92 25.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -38.91 144.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -104.47 131.22 22.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -41.93 -33.43 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -153.06 117.61 2.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.93 21.55 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -14.09 58.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -116.83 176.39 5.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.9 p90 -162.24 145.42 11.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.37 155.95 31.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -90.08 159.29 16.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -103.82 -48.71 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 162.44 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.32 -16.8 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -78.4 -21.96 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -69.31 -63.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLN . 3.2 mmmt -39.6 -30.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.504 HG12 ' CD2' ' A' ' 81' ' ' HIS . 79.0 t -75.79 -68.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 69' ' ' LEU . 37.0 m-85 -85.47 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 108.61 16.51 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.95 136.67 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -42.5 -45.62 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' CE ' ' CD1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -140.1 159.06 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -143.18 170.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mttt -87.39 145.4 26.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.55 -19.22 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -91.86 -46.76 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 61.6 mmm -48.14 -35.2 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG1' HG22 ' A' ' 78' ' ' ILE . 57.9 t -39.83 -61.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 74' ' ' VAL . 91.7 p -38.1 -49.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.3 tt0 -69.97 -55.99 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -50.73 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.58 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.0 pp -40.25 -39.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -47.5 -48.8 27.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -54.63 -36.53 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.504 ' CD2' HG12 ' A' ' 63' ' ' VAL . 96.7 m-70 -80.22 -36.87 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 12.7 mt -52.48 120.92 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 156.3 66.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.8 7.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.17 14.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.76 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 120.62 6.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.63 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.58 104.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.057 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.37 -173.53 42.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 t 59.7 91.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -131.33 138.73 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.977 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 161.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t 60.93 114.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.83 -178.88 24.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.91 128.76 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 154.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.09 101.58 2.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 m -53.93 154.54 7.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.97 7.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -115.09 -174.56 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -119.91 141.68 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.37 137.26 54.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 83' ' ' SER . 3.3 tttm -64.14 138.67 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.44 158.11 22.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -83.46 165.74 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -57.79 -36.85 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.62 -45.63 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 63' ' ' VAL . 8.5 tp -60.13 -38.21 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.84 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -3.47 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG13 ' CE2' ' A' ' 39' ' ' TYR . 55.5 t -89.89 -27.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mt -125.6 -57.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.53 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.42 -170.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.89 -43.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -155.8 101.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.42 166.79 11.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 10.3 p -71.57 157.71 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.599 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 ttm180 -52.4 -45.69 95.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 6.7 mmt180 -77.26 -56.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 28' ' ' THR . 49.6 mt -52.76 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 82.6 mt -41.77 -56.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -56.55 -50.55 71.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -42.8 -45.97 5.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 77.9 mt -71.21 -36.99 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 24.0 m0 -58.91 -52.33 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -65.24 -61.06 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CE2' HG13 ' A' ' 21' ' ' VAL . 54.4 t80 -38.81 -54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 72.3 t -51.74 -56.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -51.82 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -92.05 14.64 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.69 38.66 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 38.8 mt -83.35 -25.08 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -40.41 146.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.43 129.71 31.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.22 -47.98 66.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -130.66 120.16 18.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -11.65 21.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.29 -28.65 27.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -101.37 172.47 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.7 p90 -156.35 156.09 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.3 140.74 43.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -107.29 108.89 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.9 -174.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.3 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -75.07 -71.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD1' HD11 ' A' ' 45' ' ' LEU . 23.0 mt -41.69 -29.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.4 mt-30 -64.5 -63.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -28.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.463 ' CG2' HD12 ' A' ' 18' ' ' LEU . 73.6 t -79.72 -69.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CD1' HD11 ' A' ' 69' ' ' LEU . 58.1 m-85 -75.55 -65.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.94 9.89 21.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -115.46 167.58 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.8 -38.12 62.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -146.38 162.03 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.19 164.1 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 7.6 mttt -83.35 148.45 27.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.53 -15.49 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.8 p -97.91 -39.12 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 69.0 mmm -62.0 -28.47 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 78' ' ' ILE . 39.7 t -40.24 -63.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.46 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 70.8 p -40.37 -53.91 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.61 -43.18 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 29.0 mmtt -71.76 -70.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.5 pp -38.57 -32.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -45.24 -56.52 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.96 -30.91 16.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.459 ' CD2' HG11 ' A' ' 63' ' ' VAL . 89.3 m-70 -83.31 -30.76 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 25.5 mt -60.4 111.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.7 m -123.06 161.08 46.73 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.31 16.61 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -60.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 p -147.11 -62.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.41 -159.64 29.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 84.67 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.4 m 45.31 89.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.27 132.68 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t 64.69 109.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 0.737 . . . . 0.0 110.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 p -50.29 155.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.61 -124.84 0.78 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m 58.93 166.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -140.02 132.6 28.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.38 -59.38 0.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -53.82 156.16 5.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.06 17.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 6.3 pt-20 -110.54 119.59 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -47.6 157.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CZ ' ' O ' ' A' ' 10' ' ' GLU . 21.7 m-85 -134.61 142.01 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.96 167.49 19.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.59 151.42 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 169.56 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -56.49 -45.1 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.5 -48.72 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 63' ' ' VAL . 6.3 tp -57.84 -39.16 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mtp -65.74 -10.15 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -0.68 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.5 t -91.51 -43.59 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 35' ' ' ALA . 12.4 mt -113.63 -55.08 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.22 33.86 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pt -120.54 158.42 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.91 -28.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -159.02 112.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.4 tp10 -137.33 167.35 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.471 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 81.7 p -62.39 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -83.92 -43.99 0.78 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 9.7 mmp_? -36.37 -44.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 50.6 mt -68.35 -63.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 74.8 mt -45.0 -46.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.12 -49.47 69.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -46.34 -37.94 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.6 mt -78.53 -32.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.0 m0 -61.94 -48.12 81.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -69.84 -45.94 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.636 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.451 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 41.3 t80 -52.15 -55.71 19.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 24.2 t -40.08 -59.1 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' TYR . . . -47.77 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 10.7 mpt_? -86.27 32.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER 38.49 40.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 60' ' ' LEU . 30.0 mt -76.65 -28.79 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -41.84 147.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.33 131.8 25.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.64 -58.72 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 119.33 40.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.29 20.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t -86.58 -16.22 37.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -109.81 179.81 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.2 p90 -168.41 156.48 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.45 136.1 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.1 m -102.05 105.58 16.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -57.32 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.65 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' LEU . . . -69.76 -68.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . 77.5 mt -40.29 -34.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -61.37 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.26 -30.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' CG2' HD12 ' A' ' 18' ' ' LEU . 85.2 t -77.8 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.532 ' CD1' HD13 ' A' ' 69' ' ' LEU . 72.7 m-85 -76.85 -67.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.12 -1.09 22.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.89 137.72 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -46.98 -44.4 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -134.94 156.76 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.532 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.03 168.15 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.587 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 13.6 mttt -88.6 151.77 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 m-85 -72.86 -17.33 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -97.03 -41.14 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 76.9 mmm -57.99 -32.06 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' HG21 ' A' ' 78' ' ' ILE . 55.7 t -41.76 -28.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 73' ' ' MET . 8.9 m -67.73 -51.61 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' MET . 10.3 pt20 -89.27 34.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 6.6 mmtt -136.03 -54.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.482 HD12 ' CD2' ' A' ' 82' ' ' LEU . 1.5 pp -63.29 -26.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.7 p -49.58 -49.57 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -49.48 -29.24 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 86.3 m-70 -88.61 -35.56 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.482 ' CD2' HD12 ' A' ' 78' ' ' ILE . 80.2 mt -51.8 129.78 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -130.59 159.13 72.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.16 8.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 60.01 90.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.57 -86.16 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 82.48 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.75 84.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.37 81.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -173.33 -59.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -140.9 149.98 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.16 160.1 28.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.15 -59.98 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.766 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 t -149.41 -70.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.77 -72.68 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.0 m -43.34 157.23 0.26 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.65 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.23 59.63 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 6.9 mttp 53.73 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 50.3 m-85 -162.83 144.56 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -76.78 149.35 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.16 153.11 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 m -82.43 169.58 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 m -57.98 -40.0 79.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.84 -46.55 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' CD1' HG11 ' A' ' 63' ' ' VAL . 5.7 tp -60.9 -30.98 70.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtp -72.01 -23.34 61.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.67 -1.4 40.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 50.7 t -91.2 -36.63 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 35' ' ' ALA . 2.4 mt -119.06 -57.57 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.8 33.26 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.3 pt -116.92 164.35 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.83 -39.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.79 100.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 2.4 tp10 -124.21 -159.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 79.5 p -111.38 -165.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.25 -44.9 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CB ' ' HG3' ' A' ' 27' ' ' GLU . 1.3 mmp_? -41.47 -51.97 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 28' ' ' THR . 57.8 mt -60.86 -63.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 87.7 mt -40.67 -50.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.35 -50.71 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.465 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -44.72 -34.21 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 97.1 mt -82.92 -37.26 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.1 m0 -59.15 -54.19 49.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -60.6 -67.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' CE1' ' HG3' ' A' ' 43' ' ' ARG . 36.2 t80 -37.96 -56.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 27.3 t -43.51 -64.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -56.86 -49.07 76.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.9 -25.66 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 3.7 mmm180 -104.07 21.85 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 44.77 37.37 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 57' ' ' ASP . 24.7 mt -83.76 -31.52 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -38.82 141.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.46 131.05 39.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -74.94 -60.67 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.09 114.74 63.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.85 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.53 -15.67 51.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -111.81 173.24 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 11.0 p90 -156.14 146.94 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -77.09 154.68 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.2 p -89.56 152.41 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 1.8 m-20 -95.91 -50.89 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.19 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.9 -24.94 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.7 mt -70.24 -20.48 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.44 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -39.83 -30.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG11 ' CD1' ' A' ' 18' ' ' LEU . 77.0 t -72.9 -64.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 69' ' ' LEU . 26.4 m-85 -92.86 -63.39 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.78 1.25 25.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.54 150.03 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -55.73 -44.66 77.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.9 159.42 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.35 169.57 17.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 15.5 mttt -85.45 146.59 26.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 21.0 m-85 -70.74 -10.49 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -101.43 -45.64 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.48 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 53.5 mmm -50.22 -33.28 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 78' ' ' ILE . 45.2 t -42.07 -59.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.468 ' CB ' HD12 ' A' ' 33' ' ' ILE . 2.5 t -38.49 -34.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' MET . 2.0 tt0 -85.37 -55.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 24.3 mmtt -51.22 -52.42 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.554 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 pp -55.14 -38.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -50.85 -43.36 59.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -17.95 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 78' ' ' ILE . 94.2 m-70 -99.08 -36.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 19.5 mt -54.89 125.56 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.8 m -128.55 155.93 78.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.23 7.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.43 14.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.0 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.56 132.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.35 -109.23 0.95 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.07 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t 58.25 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.43 162.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.6 84.48 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -154.17 115.0 4.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.49 -139.34 10.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.92 113.45 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 110.031 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -91.81 88.73 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.89 -120.57 7.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -56.97 155.02 16.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.29 16.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -114.79 122.81 47.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 2.9 mtpt -93.84 151.18 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 10' ' ' GLU . 5.1 m-85 -133.5 135.06 44.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -66.33 131.37 45.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 24' ' ' ILE . 3.5 mp -75.22 168.56 19.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 169.33 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -58.92 -30.43 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.29 -44.42 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.62 -34.3 76.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG3' ' CB ' ' A' ' 14' ' ' LEU . 10.3 mtp -66.46 -18.21 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.1 -20.29 13.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.1 t -71.55 -31.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -119.86 -60.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.63 0.88 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -120.06 174.56 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -117.55 -35.49 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -166.24 104.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -117.85 166.69 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 16.0 p -71.04 156.34 39.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.7 ttm180 -50.94 -46.08 87.7 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -12.2 21.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.535 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 8.2 mmp_? -92.89 -52.6 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 53.5 mt -55.24 -57.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 62.1 mt -48.68 -58.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -51.22 -49.9 60.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.504 ' C ' ' CD2' ' A' ' 22' ' ' LEU . . . -44.84 -32.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 59.7 mt -82.89 -38.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ALA . 27.0 m0 -60.99 -49.91 75.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.7 t-160 -62.26 -55.8 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 42' ' ' ALA . 43.7 t80 -48.64 -55.33 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 53.3 t -42.11 -52.35 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -36.84 85.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' TYR . . . -44.84 -60.19 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 3.2 mpt_? -86.75 22.13 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 46.14 50.62 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 37.4 mt -84.92 -18.22 35.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -47.92 139.32 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 125.96 57.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.52 9.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -73.99 -55.38 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.42 114.31 45.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.61 20.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -18.25 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.6 m-85 -110.03 177.73 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 35.4 p90 -159.0 148.05 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -65.73 157.71 29.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.7 p -103.96 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' OD1' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -130.62 -174.08 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.53 1.54 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -116.03 -44.55 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 13.7 mt -66.92 -29.11 68.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.3 mt-30 -64.48 -56.76 12.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -28.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.496 ' CG1' ' NE2' ' A' ' 81' ' ' HIS . 77.0 t -79.14 -69.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 69' ' ' LEU . 37.5 m-85 -82.93 -63.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 103.67 8.84 39.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -106.32 149.85 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.51 -43.23 68.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -150.61 158.79 44.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.92 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.5 mttt -87.42 137.83 32.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 12.8 m-85 -58.79 -16.71 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 p -95.23 -46.08 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 46.0 mmm -50.18 -35.66 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 78' ' ' ILE . 53.7 t -39.29 -63.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 18.7 t -37.01 -44.14 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.82 -47.44 53.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' CE ' HD22 ' A' ' 69' ' ' LEU . 15.1 mmtt -63.96 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.541 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.2 pp -39.85 -39.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.62 -52.01 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -44.63 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.496 ' NE2' ' CG1' ' A' ' 63' ' ' VAL . 97.4 m-70 -70.67 -33.06 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 15.5 mt -58.81 116.54 3.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.56 162.84 50.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.19 7.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.8 15.66 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -135.42 -67.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.92 118.32 12.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 152.61 40.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.77 159.91 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.9 p -74.14 162.41 29.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -54.31 130.61 39.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.55 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.17 -131.82 1.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.3 170.32 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -69.62 158.54 35.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.64 -136.59 13.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -123.67 144.74 45.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 18.3 Cg_endo -75.06 -168.31 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 3.4 tt0 -138.76 124.0 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -88.47 138.36 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 10' ' ' GLU . 35.3 m-85 -119.34 122.63 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -47.97 146.09 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.15 146.09 25.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 167.13 19.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -60.19 -36.43 77.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.79 -44.88 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 63' ' ' VAL . 4.5 tp -61.17 -26.24 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.4 mtm -77.68 -40.19 42.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.92 -17.41 61.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 49.6 t -72.0 -49.75 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.8 -61.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.3 35.92 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.71 -172.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -44.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.94 91.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -116.17 162.23 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 22.5 p -80.93 -173.45 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.4 ttm180 -81.66 -45.48 1.08 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -9.1 20.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HB3' ' CG ' ' A' ' 27' ' ' GLU . 72.0 mtt180 -87.73 -52.51 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.433 ' CD1' HD21 ' A' ' 82' ' ' LEU . 42.7 mt -57.68 -62.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 72.5 mt -39.78 -54.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -61.04 -50.91 71.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.53 -42.53 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.8 mt -74.13 -38.51 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 21.8 m0 -56.42 -35.44 67.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -80.37 -61.12 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -39.69 -40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.419 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 50.1 t -60.73 -65.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -55.57 -42.7 75.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.46 81.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -83.83 6.48 21.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.33 51.76 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -98.3 -27.44 14.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -41.46 133.23 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.0 128.59 78.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.58 20.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.52 -52.6 4.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -112.27 114.09 51.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.2 21.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -87.82 -20.71 25.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.1 m-85 -109.36 177.61 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 16.9 p90 -159.27 147.17 17.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.1 157.47 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.8 p -105.63 160.51 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 108.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -124.98 -174.02 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.5 1.96 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.71 -51.03 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.19 -36.06 80.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.04 -52.07 66.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.32 -29.45 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 18' ' ' LEU . 54.3 t -82.2 -72.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CG ' HD11 ' A' ' 69' ' ' LEU . 56.5 m-85 -76.61 -64.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 66' ' ' GLU . . . 103.49 7.3 42.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 66' ' ' GLU . 2.2 mp0 -105.13 146.76 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.88 -43.5 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -150.36 158.13 43.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.8 168.77 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 11.8 mttt -86.78 145.15 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 20.3 m-85 -66.3 -14.33 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -98.39 -45.83 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 35.7 mmm -51.23 -32.13 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 78' ' ' ILE . 55.0 t -39.08 -58.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.468 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 86.2 p -43.64 -46.55 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.9 tt0 -66.22 -55.68 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 80' ' ' HIS . 39.6 mmtt -57.68 -68.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.482 HG22 ' CG1' ' A' ' 74' ' ' VAL . 1.1 pp -38.45 -33.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -49.44 -50.72 39.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -54.62 -20.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.613 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.411 ' NE2' HG12 ' A' ' 63' ' ' VAL . 98.9 m-70 -95.43 -37.47 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CG ' HD11 ' A' ' 78' ' ' ILE . 46.9 mt -54.58 114.78 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -134.11 164.48 43.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 140.37 25.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.6 14.24 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.798 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.0 3.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -112.5 93.06 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.13 155.58 22.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 73.83 4.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.5 p -155.81 153.06 29.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.6 t -169.4 -58.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.087 . . . . 0.0 111.032 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -170.96 147.04 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -135.31 -56.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.69 130.03 8.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -161.48 133.07 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -101.25 -55.36 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.31 158.36 47.51 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -53.25 155.23 4.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -75.02 161.46 38.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 25.8 tt0 -38.27 115.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -85.61 154.35 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 10' ' ' GLU . 8.0 m-85 -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.59 167.01 9.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -113.66 156.69 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -86.4 160.96 18.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -35.25 61.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.0 -47.03 15.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' CD2' HD23 ' A' ' 14' ' ' LEU . 9.4 tp -58.68 -36.51 74.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.67 -34.25 76.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.28 0.55 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -98.49 -56.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -95.53 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.99 1.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.1 pt -117.49 162.19 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -112.64 -42.91 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.3 t -140.65 108.16 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.1 tp10 -131.09 171.74 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 71.9 p -74.22 -164.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.4 ttp180 -83.51 -45.21 0.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -56.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.5 mmp_? -35.68 -41.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 28' ' ' THR . 56.4 mt -70.29 -61.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 66.4 mt -45.45 -48.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.01 -49.03 74.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' CB ' HD23 ' A' ' 22' ' ' LEU . . . -46.37 -36.52 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -80.55 -32.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 28.0 m0 -62.83 -57.15 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -59.5 -63.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.636 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -38.75 -54.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 t -52.18 -50.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -51.28 67.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.93 -35.54 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.45 19.47 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.98 34.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD12 ' CB ' ' A' ' 57' ' ' ASP . 16.3 mt -77.62 -29.6 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . 53.2 tt0 -38.66 141.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 55' ' ' ASN . 2.2 t-20 -96.87 134.66 22.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.543 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -51.98 -48.12 64.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -127.58 118.41 21.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.63 20.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -85.55 -17.07 37.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 2.2 m-85 -109.57 166.83 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.1 p90 -151.91 145.72 25.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 47' ' ' ASN . 20.6 m-80 -77.27 155.15 32.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.59 156.79 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -100.71 -51.19 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.55 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.12 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.2 mt -71.57 -23.02 61.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.07 -64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' GLN . 2.8 mtpp -39.6 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 81' ' ' HIS . 77.1 t -75.8 -65.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CG ' HD13 ' A' ' 69' ' ' LEU . 37.5 m-85 -89.54 -64.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.65 -4.79 26.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.61 144.44 28.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.55 -44.6 62.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -138.15 163.07 32.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -149.29 167.65 25.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.609 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 4.2 mttt -86.75 151.66 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 16.7 m-85 -72.67 -20.05 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -93.68 -44.87 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 45.3 mmm -52.6 -35.42 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' CG1' HG23 ' A' ' 78' ' ' ILE . 42.7 t -40.17 -55.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 47.3 t -37.45 -41.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.6 tt0 -75.42 -60.14 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' HE2' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.56 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.4 pp -47.1 -39.32 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -46.88 -47.6 21.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -57.6 -28.94 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.525 ' CD2' HG11 ' A' ' 63' ' ' VAL . 95.1 m-70 -87.31 -37.38 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 13.4 mt -53.76 119.48 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 160.06 70.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.49 7.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.42 14.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.47 42.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -109.31 -57.56 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.97 170.83 30.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.9 p -77.57 82.31 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.5 p -132.41 142.44 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -94.83 147.73 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.32 156.52 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.81 104.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.3 -61.01 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.68 168.69 46.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG22 ' CE ' ' A' ' 11' ' ' LYS . 25.3 m -55.57 155.39 10.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -75.06 147.35 33.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' PRO . 25.8 tt0 -38.33 117.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CE ' HG22 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -106.69 -173.07 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.463 ' CG ' ' HB3' ' A' ' 82' ' ' LEU . 6.6 m-85 -152.88 145.76 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' SER . 12.0 ttmt -74.87 149.18 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mp -96.89 143.06 28.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' MET . 10.4 m -74.43 170.42 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 m -58.64 -26.76 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.89 -46.73 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tp -67.34 -22.46 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' SER . 7.9 mtm -77.46 -8.69 58.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 -2.18 13.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.2 t -93.22 -24.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' CD2' ' HB2' ' A' ' 35' ' ' ALA . 4.4 mt -126.71 -56.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.96 10.3 8.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 pt -103.77 154.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.1 -24.2 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -167.38 122.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HG3' ' CD ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER -141.18 161.45 37.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.487 ' O ' HG13 ' A' ' 32' ' ' ILE . 69.1 p -55.48 -164.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.631 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 ttp180 -84.09 -44.04 0.76 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.48 ' CD ' ' HG3' ' A' ' 27' ' ' GLU . 89.4 mtt-85 -42.3 -52.04 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 28' ' ' THR . 53.5 mt -60.12 -66.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 91.7 mt -40.99 -49.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.49 -48.04 76.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . . . -46.24 -28.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 77.4 mt -86.11 -36.86 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.6 m0 -62.03 -49.71 74.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -63.29 -57.48 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 45.6 t80 -46.92 -57.6 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 72.6 t -45.55 -64.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -51.77 -53.75 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -28.26 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 57' ' ' ASP . 8.0 mmm180 -101.99 21.45 14.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt 42.49 33.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' CB ' HG12 ' A' ' 40' ' ' VAL . 34.3 mt -81.46 -16.02 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -51.87 149.95 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 2.1 m120 -102.29 127.32 30.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.95 4.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -69.72 -59.31 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.5 114.94 52.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.39 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -86.03 -12.37 50.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -112.2 176.91 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 51.5 p90 -160.92 154.16 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 47' ' ' ASN . 4.5 m-80 -76.92 137.54 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 m -100.43 117.38 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' OD2' ' NH2' ' A' ' 43' ' ' ARG . 27.3 m-20 -71.34 -175.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -30.69 70.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -79.17 -59.75 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.9 mt -47.66 -25.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.25 -66.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -39.97 -29.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.512 HG12 ' CD2' ' A' ' 81' ' ' HIS . 72.0 t -75.14 -68.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.57 ' CD1' HD13 ' A' ' 69' ' ' LEU . 49.3 m-85 -80.8 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.02 8.96 25.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.34 159.83 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.58 -48.46 79.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 2.8 pttm -138.53 163.61 31.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -147.34 165.35 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.6 mttt -85.13 133.38 34.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 10.5 m-85 -55.46 -20.07 11.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -90.87 -47.01 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.491 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 74.3 mmm -56.89 -23.27 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 11.5 t -39.71 -57.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 2.8 t -47.86 -54.78 11.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.95 -18.98 15.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.454 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 13.5 mmtt -95.08 -72.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.545 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.7 pp -38.78 -41.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.4 m -45.25 -47.69 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 6.8 t60 -51.82 -32.96 33.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.512 ' CD2' HG12 ' A' ' 63' ' ' VAL . 93.6 m-70 -87.4 -36.91 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.663 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 44.6 mt -48.03 119.38 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.2 m -131.04 163.6 48.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.64 8.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.96 15.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.33 104.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.84 -144.33 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.19 23.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 t -45.34 113.82 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -62.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -101.64 98.12 8.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.34 84.32 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.0 87.31 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 t -174.09 156.03 2.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.63 85.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.33 -63.35 0.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -123.44 144.6 44.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.367 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 8' ' ' VAL . 18.3 Cg_endo -74.98 178.87 6.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pt-20 -110.74 120.61 42.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -72.2 163.33 28.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 10' ' ' GLU . 61.4 m-85 -138.14 133.09 32.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -60.61 169.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 158.75 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.9 p -85.46 168.57 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.07 71.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -82.03 -46.19 14.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 ' CG2' ' A' ' 63' ' ' VAL . 4.3 tp -62.84 -26.68 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' SER . 21.8 mtp -74.58 -32.09 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.56 0.19 57.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 78.4 t -92.84 -50.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 8.1 mt -102.51 -56.25 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.24 1.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.3 pt -124.47 156.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.444 ' C ' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -107.78 -25.73 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.444 ' CG1' ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -162.42 111.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 3.0 tp10 -134.08 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 55.8 p -58.51 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.636 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -82.99 -43.72 0.87 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.96 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 3.6 mmt180 -36.18 -44.72 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 54.3 mt -67.51 -64.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 64.6 mt -41.09 -43.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.43 -48.79 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 22' ' ' LEU . . . -46.41 -30.76 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 78' ' ' ILE . 96.6 mt -82.81 -37.07 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 32.9 m0 -60.67 -42.28 96.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -72.84 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.586 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -41.24 -47.92 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 45.2 t -55.5 -63.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -52.83 -46.93 67.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.89 70.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.32 10.42 22.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.49 31.27 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 48.0 mt -78.99 -29.31 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -39.77 142.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.18 135.33 22.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -49.55 -60.33 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 53' ' ' PHE . 20.2 t70 -116.88 118.74 36.11 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.35 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -80.65 -14.91 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.3 m-85 -112.6 177.66 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 11.0 p90 -160.31 151.18 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 68.2 m-80 -69.43 151.97 45.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.8 p -92.51 175.87 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 108.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' OD1' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -143.26 -177.27 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.14 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.49 -37.93 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 15.3 mt -73.83 -36.58 64.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.61 -53.75 54.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -46.56 -25.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG12 ' NE2' ' A' ' 81' ' ' HIS . 69.5 t -89.33 -71.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 69' ' ' LEU . 44.7 m-85 -72.65 -65.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.05 16.37 21.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -116.53 163.01 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -66.88 -40.93 87.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -150.13 160.41 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -144.47 165.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 8.5 mtpt -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.67 -17.77 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 p -96.1 -37.61 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.479 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 51.1 mmm -64.75 -22.61 67.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.513 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 23.3 t -42.8 -40.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -41.87 79.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -68.61 -6.9 28.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 78' ' ' ILE . 11.7 mmtt -113.26 -70.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.513 ' CG1' ' O ' ' A' ' 74' ' ' VAL . 1.4 pp -39.98 -34.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 82' ' ' LEU . 27.6 p -45.16 -55.04 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -30.36 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.412 ' NE2' HG12 ' A' ' 63' ' ' VAL . 99.0 m-70 -86.13 -35.64 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CG ' HD11 ' A' ' 78' ' ' ILE . 69.1 mt -54.02 109.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.7 161.9 25.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.91 7.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.47 14.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.98 9.19 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.17 133.29 47.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.97 112.67 3.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.98 4.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.18 130.86 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -65.57 126.33 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -151.35 -58.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 p -99.55 162.83 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.9 -167.92 15.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.76 80.6 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -61.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.17 -159.65 26.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 12.1 p -127.59 141.35 40.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.06 165.88 30.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -113.56 -174.58 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -125.81 160.22 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -142.47 151.43 41.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.55 152.34 37.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.74 157.62 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 171.3 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.57 -40.02 92.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -78.82 -46.06 19.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 63' ' ' VAL . 11.4 tp -57.7 -38.5 75.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 9.9 mtp -60.84 -43.67 97.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.16 -19.07 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.525 ' O ' ' CZ ' ' A' ' 39' ' ' TYR . 39.5 t -68.74 -39.11 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -114.09 -60.34 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.18 33.38 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -113.56 -169.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -141.93 -44.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 t -146.53 110.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' CB ' HG12 ' A' ' 32' ' ' ILE . 1.7 mt-10 -131.54 151.33 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 31' ' ' ARG . 7.3 p -62.7 157.85 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -47.35 -47.96 57.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.98 -31.55 6.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.54 1.81 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' N ' ' A' ' 28' ' ' THR . 6.0 mmt85 -65.87 -63.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' CD2' ' A' ' 82' ' ' LEU . 48.4 mt -37.49 -66.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 25.3 mt -39.86 -61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -44.86 -48.97 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.76 -35.37 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' CG1' ' A' ' 74' ' ' VAL . 89.7 mt -78.18 -35.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.465 ' NE1' ' CG2' ' A' ' 33' ' ' ILE . 33.7 m0 -61.14 -60.11 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -51.45 -52.48 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 46.5 t80 -51.77 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 45' ' ' LEU . 70.7 t -49.52 -40.35 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -48.41 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HB1' ' CZ ' ' A' ' 43' ' ' ARG . . . -57.92 -49.99 74.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -69.43 -6.88 33.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' GLN . 1.4 mmmp? 71.67 6.9 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 13.4 mt -47.79 -24.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LYS . 63.9 tt0 -40.72 138.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.7 140.31 31.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.79 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -68.58 -70.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 120.47 58.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.34 20.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -83.0 -35.86 25.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 68' ' ' LYS . 1.9 m-85 -85.88 178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 28.7 p90 -168.72 151.1 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -84.59 154.75 22.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.6 p -86.69 142.53 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -82.95 -51.39 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.46 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 -23.04 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 16.0 mt -70.02 -21.4 63.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -65.16 -66.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 ' N ' ' C ' ' A' ' 61' ' ' GLN . 92.9 t -75.03 -66.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CG ' HD13 ' A' ' 69' ' ' LEU . 55.3 m-85 -86.89 -65.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 111.2 11.26 18.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.42 143.3 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mm-40 -47.5 -47.55 27.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -133.5 -177.78 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -168.46 170.38 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.0 mttt -92.83 143.81 25.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' SER . 5.4 m-85 -65.65 -19.36 65.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 p -91.72 -45.53 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 71.0 mmm -54.13 -27.32 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG1' HD12 ' A' ' 36' ' ' ILE . 36.8 t -45.86 -26.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -71.48 -44.1 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 73' ' ' MET . 2.4 pt20 -90.44 26.84 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 18.8 mmtt -134.97 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.486 HD13 ' CG ' ' A' ' 82' ' ' LEU . 1.5 pp -64.67 -34.87 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 82' ' ' LEU . 84.5 p -45.11 -56.14 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -27.38 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.3 m-70 -89.11 -33.71 16.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.486 ' CG ' HD13 ' A' ' 78' ' ' ILE . 86.8 mt -53.22 145.44 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.65 160.61 46.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 124.45 8.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 173.21 14.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.41 5.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.63 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.95 104.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.92 94.52 2.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.15 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.3 p -160.46 89.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.7 m -111.55 -58.75 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -157.59 -57.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.05 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -48.33 119.35 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.89 95.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -137.99 130.92 29.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.025 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -115.65 124.79 51.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.9 -74.18 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -51.38 156.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 154.07 42.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.37 130.75 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -77.95 151.79 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 82' ' ' LEU . 59.9 m-85 -125.14 134.27 52.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -70.91 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 24' ' ' ILE . 2.8 mp -72.32 166.51 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -95.04 178.07 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -64.04 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.6 -46.11 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.06 -46.93 84.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mtp -58.13 -15.23 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.5 -0.94 29.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.2 t -93.27 -54.05 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 35' ' ' ALA . 16.7 mt -100.04 -57.11 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.46 34.99 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 14' ' ' LEU . 1.3 pt -119.55 158.86 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.484 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 2.0 pt-20 -98.43 -35.84 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -160.88 109.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.481 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -121.4 179.04 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 67.2 p -81.1 -163.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.08 -43.6 0.76 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.05 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' PRO . 88.4 mtt-85 -35.75 -45.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' THR . 41.1 mt -68.54 -63.37 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 58.4 mt -42.91 -47.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.89 -50.8 38.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 22' ' ' LEU . . . -46.07 -28.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.36 -38.29 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -57.2 -40.19 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 107.95 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.69 -48.64 18.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 44.0 t80 -52.04 -55.57 19.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.32 -58.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.3 -34.33 72.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' TYR . . . -50.75 -61.21 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.8 mpt_? -86.73 32.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.6 mmtt 39.47 46.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD1' ' OD2' ' A' ' 57' ' ' ASP . 40.0 mt -83.65 -35.11 24.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -39.75 143.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -97.41 133.8 23.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -49.89 -48.52 51.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -125.35 120.36 24.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.21 20.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -82.02 -37.26 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -92.23 172.75 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 13.3 p90 -158.94 152.4 22.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -68.84 151.06 47.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.8 p -91.96 -176.03 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' OD2' ' CD1' ' A' ' 45' ' ' LEU . 1.5 m-20 -145.32 -171.22 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.87 -9.94 59.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.0 -35.6 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -70.32 -28.66 65.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -67.73 -62.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.97 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 81' ' ' HIS . 84.7 t -79.45 -67.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' A' ' 69' ' ' LEU . 64.3 m-85 -83.36 -65.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 104.99 6.73 39.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' A' ' 66' ' ' GLU . 2.0 mp0 -108.85 134.14 51.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 15.1 pt-20 -40.3 -44.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -145.12 160.8 40.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.68 165.25 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 23.0 mttt -84.12 157.36 21.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 52' ' ' SER . 8.0 m-85 -77.14 -14.76 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -100.55 -36.12 9.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.474 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 54.7 mmm -62.03 -28.59 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 78' ' ' ILE . 53.7 t -44.68 -30.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 p -67.86 -46.82 70.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' MET . 16.9 pt20 -90.24 29.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -135.93 -52.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.27 -31.03 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.7 p -47.33 -31.54 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -40.45 93.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.568 ' CD2' HG12 ' A' ' 63' ' ' VAL . 96.5 m-70 -74.86 -34.4 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.485 HD11 ' CD1' ' A' ' 78' ' ' ILE . 28.3 mt -53.77 121.34 7.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -125.99 164.1 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.77 5.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 172.04 17.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 83.22 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.95 177.29 40.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 86.05 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.87 148.21 28.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.38 109.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -59.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.31 112.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.21 133.88 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -45.14 140.24 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.81 88.54 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.25 -111.91 4.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 12.1 p -142.33 141.37 20.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.0 159.72 41.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 pt-20 -107.0 119.58 39.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -40.1 152.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 10' ' ' GLU . 11.6 m-85 -134.73 130.68 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' CE ' ' HD3' ' A' ' 86' ' ' PRO . 10.7 mttm -59.81 174.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER -125.74 159.2 32.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -104.49 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -39.08 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' CB ' ' HG3' ' A' ' 62' ' ' LYS . . . -73.84 -53.4 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 15' ' ' SER . 8.5 tp -69.14 -28.8 66.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -64.55 -47.31 79.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.42 -26.74 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.79 -59.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.61 -68.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 124.81 35.19 0.65 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' MET . 1.5 pt -121.19 156.31 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -100.47 -34.66 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.517 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -156.47 117.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB3' HG13 ' A' ' 32' ' ' ILE . 1.8 tp10 -135.75 171.66 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 52.5 p -69.69 -169.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.1 ttp180 -82.58 -44.72 0.94 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -41.62 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.7 mmp_? -50.12 -49.82 50.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 28' ' ' THR . 50.8 mt -64.8 -65.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 94.8 mt -40.81 -45.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.94 -48.01 64.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 96.6 mt -88.56 -34.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.7 m0 -63.9 -52.36 60.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.0 OUTLIER -61.52 -63.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.493 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 43.3 t80 -39.63 -57.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 32.2 t -41.43 -62.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -56.25 -33.2 65.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 39' ' ' TYR . . . -53.21 -61.42 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.3 mpt_? -79.97 6.6 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.2 31.74 20.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.67 -17.5 63.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -49.34 146.56 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.36 135.23 21.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -46.56 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -58.04 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.46 118.52 39.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.97 19.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' PHE . 67.5 m -86.27 -15.66 40.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -109.23 176.26 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 18.9 p90 -165.18 156.16 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.02 138.83 41.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.9 m -97.11 114.69 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.98 55.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -85.85 -59.62 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 mt -45.42 -26.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' ALA . 10.9 mt-30 -71.46 -48.53 48.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -53.61 -22.67 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG13 ' CD2' ' A' ' 81' ' ' HIS . 78.7 t -89.3 -70.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.525 ' CG ' HD11 ' A' ' 69' ' ' LEU . 61.3 m-85 -74.59 -65.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.37 -2.53 32.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.62 143.64 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -50.94 -42.01 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -139.83 168.03 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD11 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -156.28 165.65 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.7 mtpt -87.67 156.32 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' SER . 15.7 m-85 -76.87 -12.2 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -102.82 -36.79 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.469 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 48.1 mmm -61.71 -24.36 66.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 78' ' ' ILE . 54.7 t -47.69 -34.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t -65.88 -43.07 89.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.41 25.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -135.69 -46.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -72.11 -29.04 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -47.24 -25.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -40.48 73.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.562 ' CD2' HG13 ' A' ' 63' ' ' VAL . 91.3 m-70 -75.84 -28.31 58.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 78' ' ' ILE . 26.6 mt -61.81 126.05 25.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.97 161.06 63.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' HD3' ' CE ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.02 120.69 6.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.66 67.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.54 98.34 0.56 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 154.13 42.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.39 166.07 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -161.08 170.64 20.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t 61.03 98.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 0.734 . . . . 0.0 110.053 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t 54.37 84.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.05 -77.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.088 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.94 162.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m 57.54 102.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 -61.14 2.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 m -52.56 154.37 4.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.2 40.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 122.74 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.69 154.31 42.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' CD2' HD12 ' A' ' 82' ' ' LEU . 28.9 m-85 -125.39 142.45 51.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 174.66 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.72 146.85 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 170.97 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -58.7 -42.55 88.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.94 -47.4 29.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD11 ' CG2' ' A' ' 63' ' ' VAL . 6.9 tp -53.55 -33.37 54.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.11 73.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 4.2 42.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.8 -34.99 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD2' ' HB1' ' A' ' 35' ' ' ALA . 2.1 mt -127.8 -57.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 31.63 1.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -115.55 158.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 26' ' ' VAL . 13.9 pt-20 -109.0 -43.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 15.3 t -139.13 110.78 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.5 tp10 -133.84 177.5 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 80.6 p -86.31 -168.29 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -80.63 -43.73 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -51.03 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -42.13 -45.08 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 28' ' ' THR . 32.8 mt -70.43 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 34.0 mt -41.62 -42.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -71.71 -52.34 18.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' CD2' ' A' ' 22' ' ' LEU . . . -43.78 -32.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 80.9 mt -80.57 -42.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.1 m0 -51.85 -56.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' CD2' ' HB1' ' A' ' 42' ' ' ALA . 8.0 t60 -61.57 -65.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' HIS . 50.8 t80 -36.25 -51.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 73.6 t -52.7 -58.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.02 -49.06 79.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 38' ' ' HIS . . . -49.3 -39.95 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.14 24.36 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' LYS . 5.0 mttt 39.87 45.24 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 57' ' ' ASP . 33.0 mt -88.52 -27.06 21.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -41.75 130.07 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -85.39 134.26 40.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -42.63 -41.87 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.32 126.45 8.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -48.9 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 7.2 m-85 -92.13 161.04 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 7.5 p90 -145.47 146.85 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -64.0 155.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.8 p -92.83 132.49 36.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -73.28 -55.33 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' ASP . . . 163.7 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.05 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 mt -77.76 -18.95 55.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -72.59 -65.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 18' ' ' LEU . 87.0 t -78.09 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.523 ' CG ' ' CD1' ' A' ' 69' ' ' LEU . 36.4 m-85 -91.25 -66.42 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 106.35 19.22 10.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLU . 2.4 mt-10 -120.09 134.01 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . 14.5 pt-20 -38.74 -44.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.1 pttm -145.26 153.64 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' CD1' ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -133.79 160.99 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 mtpt -81.65 167.63 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.5 m-85 -96.41 -3.6 43.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.3 p -116.09 -30.55 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.502 ' SD ' ' CD2' ' A' ' 69' ' ' LEU . 2.4 ppp? -83.85 12.47 6.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 38.9 t -75.77 -35.48 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -23.7 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 73' ' ' MET . 4.4 pt20 -95.77 19.78 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -136.66 -55.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.542 ' CD1' ' CD1' ' A' ' 82' ' ' LEU . 2.3 pp -58.17 -37.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 p -38.68 -61.13 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -41.15 -46.22 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.452 ' CB ' HD23 ' A' ' 18' ' ' LEU . 98.6 m-70 -67.09 -42.95 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 78' ' ' ILE . 24.8 mt -52.42 115.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 158.12 75.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.02 15.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.35 41.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.74 41.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.5 p -179.5 69.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.85 99.32 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 101.05 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 m -159.28 112.29 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.69 -57.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 p -76.22 131.94 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -121.58 94.17 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.45 84.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -142.39 78.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.54 83.35 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.58 -59.07 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -57.91 155.83 21.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -169.34 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.07 130.38 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -114.7 157.08 23.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -138.85 127.37 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -59.2 135.44 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.71 159.04 20.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.85 167.22 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -61.77 -41.61 97.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.77 -49.5 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tp -58.68 -42.11 87.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.65 -14.11 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -99.06 -15.81 18.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.3 t -80.87 -53.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 24' ' ' ILE . 1.9 mt -94.33 -62.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.57 35.7 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CD1' HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -112.89 -170.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.71 -44.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -135.4 96.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -125.98 160.0 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 71.9 p -67.31 -165.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.1 ttm180 -82.84 -46.14 0.88 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 1.5 mmt180 -36.36 -38.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' THR . 62.5 mt -71.55 -62.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 30.4 mt -40.85 -44.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.88 -48.69 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.95 -29.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 ' CD1' HG22 ' A' ' 78' ' ' ILE . 93.9 mt -84.58 -36.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.9 m0 -60.57 -43.67 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.75 -58.61 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -39.55 -49.24 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.5 t -54.58 -69.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -49.42 -43.39 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.51 74.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -94.73 16.87 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.27 31.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' OD1' ' A' ' 57' ' ' ASP . 28.1 mt -77.34 -27.52 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.8 tt0 -38.36 146.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.33 134.36 25.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.42 3.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -74.14 -56.24 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.06 117.41 50.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -18.28 18.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 10.8 p -82.62 -28.55 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 1.5 m-85 -100.49 173.0 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 6.3 p90 -162.36 149.71 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -71.56 149.02 46.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -91.65 138.31 31.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -81.3 -69.32 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -179.54 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.15 -24.24 32.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 mt -72.45 -27.24 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -63.94 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -39.19 -30.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 61' ' ' GLN . 97.1 t -76.56 -62.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.532 ' CG ' ' CD1' ' A' ' 69' ' ' LEU . 47.2 m-85 -90.16 -65.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 107.1 26.76 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.15 143.74 50.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.68 -42.35 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 53' ' ' PHE . 2.4 pttm -140.33 163.81 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.532 ' CD1' ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.4 159.27 44.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.4 mtpt -82.3 171.65 14.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.0 m-85 -99.53 -8.78 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.6 p -109.33 -29.51 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' ' 69' ' ' LEU . 1.9 ppp? -85.18 15.06 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 17.8 t -82.64 -29.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -27.59 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -97.46 25.05 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CE ' ' SD ' ' A' ' 73' ' ' MET . 10.0 mmtt -136.53 -52.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.493 HD11 ' CG ' ' A' ' 82' ' ' LEU . 1.7 pp -64.12 -34.19 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -40.7 -54.71 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -45.15 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ILE . 97.1 m-70 -68.3 -37.64 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 ' CG ' HD11 ' A' ' 78' ' ' ILE . 31.3 mt -56.99 124.59 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -134.86 161.61 62.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.78 8.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.46 40.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.98 77.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.88 166.22 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.24 89.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.17 -57.8 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -160.78 -58.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.91 164.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.933 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.73 -117.04 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -47.45 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.15 76.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.23 153.81 36.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.4 m -57.69 152.58 35.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.88 34.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -174.22 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -136.64 155.73 49.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -131.11 144.78 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 159.27 34.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -111.13 156.86 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -84.63 166.8 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.8 m -56.32 -43.35 78.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . -76.06 -46.86 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 63' ' ' VAL . 4.8 tp -60.09 -27.29 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' SER . 25.5 mtp -73.51 -39.46 64.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.18 -11.04 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 17' ' ' ALA . 71.1 t -80.14 -38.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 11.3 mt -115.7 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.55 36.08 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.47 HG13 ' CD1' ' A' ' 14' ' ' LEU . 1.2 pt -124.58 155.32 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.56 -23.78 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -149.69 104.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -131.86 175.73 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.424 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 26.8 p -92.77 -173.36 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.7 ttm180 -81.66 -45.28 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -74.99 -8.78 20.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -89.73 -50.41 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ILE . 20.2 mt -62.01 -61.22 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 45.2 mt -39.88 -49.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -66.65 -51.14 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 22' ' ' LEU . . . -43.94 -36.2 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 78' ' ' ILE . 88.8 mt -77.06 -40.59 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.5 m0 -53.55 -46.25 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.94 -59.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -38.26 -56.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 45' ' ' LEU . 77.3 t -53.62 -49.77 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -49.77 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.9 -59.32 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -11.94 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER 66.04 42.65 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' CG1' ' A' ' 40' ' ' VAL . 61.2 mt -86.15 -20.58 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.402 ' N ' HG11 ' A' ' 40' ' ' VAL . 59.0 tt0 -40.97 137.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' A' ' 49' ' ' ASN . 1.3 m120 -88.12 132.42 39.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 3.1 p-10 -59.4 -54.62 44.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.47 125.26 25.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.92 21.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.9 m -84.22 -25.46 29.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -106.56 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 p90 -163.49 151.83 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.3 150.39 49.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 67' ' ' GLU . 14.7 p -91.55 170.43 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.49 -176.06 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.0 -0.44 27.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.02 -47.86 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.4 mt -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.26 -57.98 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.88 -26.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 18' ' ' LEU . 87.4 t -87.76 -71.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CD1' HD11 ' A' ' 69' ' ' LEU . 39.1 m-85 -73.86 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.6 45.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.74 133.33 48.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 12.5 pt-20 -39.87 -41.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 2.6 pttm -140.27 176.0 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -162.6 152.78 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -74.28 171.96 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -98.56 -6.09 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -113.86 -25.16 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.58 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 2.4 ptm -84.03 -4.75 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 77' ' ' LYS . 4.6 t -53.54 -56.86 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' SER . 23.3 t -40.3 -64.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -42.35 -31.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' VAL . 36.7 mmtt -86.53 -79.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.6 pp -37.04 -38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 75' ' ' SER . 60.7 p -38.85 -56.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -45.54 -48.75 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -62.8 -41.21 99.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.1 mt -51.12 131.79 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.02 157.43 64.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.97 9.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.81 119.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.42 106.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.98 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.7 t 65.64 76.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.49 132.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.59 135.87 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 128.61 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -75.69 154.07 36.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.8 p -82.31 165.59 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.86 -43.31 85.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 -46.29 27.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.519 HD13 ' CG1' ' A' ' 63' ' ' VAL . 8.9 tp -59.56 -32.3 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' SER . 24.7 mtm -73.87 -29.68 62.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -10.1 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' CE2' ' A' ' 39' ' ' TYR . 8.3 t -83.86 -52.07 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 24' ' ' ILE . 1.5 mt -96.57 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.49 0.88 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.85 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -111.98 -169.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.42 -44.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -138.03 105.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -131.8 -179.35 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 60.8 p -89.9 -162.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.605 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.4 ttp180 -82.83 -45.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.02 -57.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' PRO . 83.4 mtt180 -35.51 -41.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.2 mt -71.39 -63.0 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 69.2 mt -43.85 -43.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -70.83 -47.8 57.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -47.52 -30.07 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 40' ' ' VAL . 93.7 mt -82.85 -35.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.7 m0 -61.64 -50.66 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HG13 ' A' ' 21' ' ' VAL . 49.8 t80 -43.05 -54.34 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.0 t -46.18 -63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' LYS . 25.4 mttt -55.89 -46.77 78.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.94 -44.12 40.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.93 23.71 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LYS . 25.0 mtmt 41.4 47.04 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 57' ' ' ASP . 28.3 mt -91.26 -27.67 18.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -38.99 141.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.4 132.57 23.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -53.3 -46.71 69.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -128.72 119.2 20.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.7 21.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -90.53 -28.38 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.8 m-85 -99.54 161.17 13.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CB ' HG11 ' A' ' 40' ' ' VAL . 10.3 p90 -146.68 143.58 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.35 164.18 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.1 p -100.41 151.24 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.91 -50.41 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.14 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.68 -19.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.3 mt -76.0 -25.4 55.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -66.75 -64.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -39.42 -30.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.3 t -74.41 -67.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 60' ' ' LEU . 58.0 m-85 -85.27 -64.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 116.62 -6.43 18.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.66 145.29 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.06 -41.14 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pttp -144.36 160.3 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.854 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -145.4 170.02 17.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 9.6 mttt -84.45 159.72 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' SER . 10.2 m-85 -79.12 -14.0 59.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 p -101.56 -40.12 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.591 ' HB2' HD23 ' A' ' 69' ' ' LEU . 4.6 mmt -55.2 -32.74 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.635 HG13 ' CG2' ' A' ' 78' ' ' ILE . 64.1 t -42.88 -37.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.434 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 5.6 t -60.57 -46.59 89.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' MET . 9.2 pt20 -90.6 26.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.854 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.0 mmtt -134.9 -50.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.862 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.03 -34.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' LEU . 73.6 p -41.37 -58.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -44.28 -42.97 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.81 -36.72 73.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.862 HD11 ' CD1' ' A' ' 78' ' ' ILE . 32.9 mt -57.03 136.35 56.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -141.35 161.8 50.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.98 9.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' SER . 55.0 m-85 -150.38 131.37 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -60.39 172.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 24' ' ' ILE . 1.9 mp -119.26 152.21 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -80.65 174.12 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.81 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.888 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -86.6 -45.1 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 63' ' ' VAL . 4.8 tp -64.03 -20.58 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.4 mtm -76.86 -36.32 56.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 0.4 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.5 t -86.5 -50.35 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.891 HD22 ' HB1' ' A' ' 35' ' ' ALA . 7.0 mt -106.15 -51.51 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.7 25.18 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.8 pt -116.49 155.47 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -105.3 -26.89 11.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -160.79 110.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.827 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.9 tp10 -133.57 166.91 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 51.8 p -62.99 -170.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp180 -81.36 -44.57 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.94 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.49 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.3 mmp_? -41.34 -43.96 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 28' ' ' THR . 39.4 mt -68.25 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 57.3 mt -42.46 -45.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.75 -50.31 65.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -45.5 -37.84 5.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.875 ' O ' HG23 ' A' ' 40' ' ' VAL . 60.1 mt -78.41 -34.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 22.8 m0 -59.47 -43.29 93.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.642 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 1.1 t60 -75.79 -61.31 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 64.7 t80 -36.89 -38.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 36' ' ' ILE . 76.7 t -68.19 -62.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -36.99 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.642 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -68.96 -40.16 79.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -89.54 21.75 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.64 38.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.759 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.0 mt -85.63 -26.25 26.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -42.29 151.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.37 131.17 29.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -30.88 6.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -78.22 -65.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -97.54 113.4 63.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.85 21.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 58.0 m -94.72 -11.38 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -114.08 178.16 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HB2' HG11 ' A' ' 40' ' ' VAL . 16.1 p90 -167.41 156.87 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -74.86 132.77 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.28 102.43 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.759 ' OD1' HD21 ' A' ' 45' ' ' LEU . 13.6 m-20 -53.44 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -74.18 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 45' ' ' LEU . 52.8 mt -43.09 -28.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.64 -67.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -41.02 -29.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 18' ' ' LEU . 79.4 t -77.26 -67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.716 ' CG ' HD13 ' A' ' 69' ' ' LEU . 62.8 m-85 -77.05 -67.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.61 1.81 24.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -111.47 143.03 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.4 pt-20 -50.55 -44.42 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -137.7 158.67 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.69 167.68 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.1 mttt -87.97 155.09 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.92 -16.75 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -98.15 -43.25 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.505 ' HB2' HD23 ' A' ' 69' ' ' LEU . 66.4 mmm -53.62 -29.74 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 70' ' ' LYS . 68.9 t -43.4 -34.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -66.35 -45.43 80.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.3 OUTLIER -90.53 28.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.636 ' HE3' HD21 ' A' ' 69' ' ' LEU . 13.4 mmtt -135.86 -52.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.2 pp -67.3 -32.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -47.28 -33.1 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' ILE . 95.9 m-70 -80.07 -30.64 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 78' ' ' ILE . 37.1 mt -56.09 113.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.7 m -115.4 158.66 40.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 123.12 7.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mttp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -131.82 159.5 38.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -87.17 145.35 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -97.6 146.23 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.2 170.13 16.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -63.21 -39.12 93.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.2 -48.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 14' ' ' LEU . 7.9 tp -61.37 -42.26 98.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.11 -14.37 23.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.95 -6.96 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.716 HG22 ' HB1' ' A' ' 59' ' ' ALA . 38.7 t -87.32 -52.12 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 35' ' ' ALA . 4.2 mt -100.49 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.5 35.2 0.94 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -111.15 -169.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -145.69 -45.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -139.76 98.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.9 tp10 -127.44 174.12 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.6 p -75.06 -166.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.594 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.3 ttm-85 -82.52 -46.0 0.93 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.0 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.6 mmp_? -35.73 -39.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.3 mt -73.83 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 85.6 mt -44.37 -44.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.64 -50.25 52.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.87 -29.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 95.7 mt -84.76 -40.28 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.0 m0 -56.44 -40.61 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -62.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -40.59 -43.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ILE . 69.7 t -59.85 -56.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -34.87 76.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.41 97.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.66 8.33 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 55.08 35.21 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 44.6 mt -79.92 -27.82 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -41.49 143.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -97.36 132.31 25.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.05 -47.86 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -127.14 120.01 22.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.71 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -91.51 -41.19 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -85.96 177.6 7.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 47.6 p90 -165.83 155.96 12.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -71.67 143.57 49.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -115.17 105.92 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.1 m-20 -67.27 -171.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.15 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -68.26 -70.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 49.2 mt -42.92 -31.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.54 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -42.55 -29.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 18' ' ' LEU . 73.9 t -75.17 -69.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.798 ' CG ' HD13 ' A' ' 69' ' ' LEU . 50.2 m-85 -81.77 -64.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 109.99 18.91 8.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.59 143.5 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -46.11 -48.26 17.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 1.4 pttm -138.54 166.23 24.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -148.5 167.04 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 18.0 mttt -88.28 143.84 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' SER . 4.5 m-85 -62.08 -21.52 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.7 p -90.98 -43.41 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.66 ' HB2' HD23 ' A' ' 69' ' ' LEU . 21.9 mmt -52.05 -37.52 53.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 70' ' ' LYS . 83.2 t -41.94 -35.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -62.02 -51.37 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -91.06 31.45 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.725 ' HE3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -133.08 -46.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.873 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -66.3 -34.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 53.7 p -41.49 -57.9 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -37.47 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.452 ' CD2' HG13 ' A' ' 63' ' ' VAL . 98.4 m-70 -77.36 -38.48 50.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.873 HD11 ' CD1' ' A' ' 78' ' ' ILE . 48.1 mt -53.6 138.27 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 156.52 76.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.66 8.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HD2' HD13 ' A' ' 82' ' ' LEU . 25.1 m-85 -118.36 133.9 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -63.57 135.3 56.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.05 153.88 22.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 165.39 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -59.65 -34.49 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -85.13 -44.72 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 63' ' ' VAL . 9.9 tp -62.7 -25.16 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 23.1 mtm -78.05 -36.48 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.46 -15.12 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 17' ' ' ALA . 75.2 t -77.89 -39.44 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 35' ' ' ALA . 9.8 mt -110.62 -61.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 119.59 36.01 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -114.16 -170.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -143.88 -44.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -137.42 102.35 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.1 tp10 -132.67 171.89 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 61.5 p -81.32 -162.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.9 ttm180 -83.1 -44.68 0.86 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.6 Cg_endo -74.95 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PRO . 79.7 mtt-85 -35.63 -40.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 28' ' ' THR . 45.7 mt -73.62 -62.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 62.7 mt -42.62 -40.91 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.93 -48.54 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.58 -34.54 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.3 mt -78.11 -35.79 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -59.92 -46.79 88.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -60.45 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -42.31 -52.53 4.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.4 t -50.0 -61.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' LYS . 13.3 mtpt -54.82 -50.34 68.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -34.98 29.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 45' ' ' LEU . 1.1 mmp_? -95.43 26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 2.2 mmtt 41.5 29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD21 ' OD1' ' A' ' 57' ' ' ASP . 38.2 mt -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -41.5 132.89 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.18 132.72 79.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -34.98 3.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -78.74 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 95.7 m-20 -99.54 113.37 64.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.77 21.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -88.13 -28.27 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.2 m-85 -98.97 -179.16 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 8.2 p90 -166.87 153.41 8.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.1 m-80 -80.37 152.62 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -93.82 140.72 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.795 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.64 -69.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -177.62 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.4 -22.24 30.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HE2' ' A' ' 64' ' ' PHE . 16.8 mt -73.62 -22.4 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.59 -65.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -39.24 -30.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.8 t -76.27 -67.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CG ' HD13 ' A' ' 69' ' ' LEU . 53.7 m-85 -79.58 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.14 9.75 17.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -117.27 164.98 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 12.8 pt-20 -71.93 -40.32 68.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.76 155.14 44.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.901 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -140.94 169.85 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 74' ' ' VAL . 24.1 mttt -87.86 157.28 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 m-85 -76.79 -10.27 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.3 p -105.8 -40.43 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.472 ' HB2' HD23 ' A' ' 69' ' ' LEU . 59.5 mmm -55.04 -37.09 66.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.0 t -40.4 -36.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 m -58.42 -51.2 70.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -89.77 31.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.1 mmtt -135.25 -48.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.701 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -71.62 -34.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.1 p -45.37 -47.8 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -50.51 -42.03 54.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 88.3 m-70 -71.85 -41.27 68.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 78' ' ' ILE . 66.5 mt -48.46 144.5 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.81 162.41 26.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.41 9.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 m-85 -121.64 122.02 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -50.55 145.84 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -94.73 155.72 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 169.89 13.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.8 m -58.55 -49.23 78.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.99 -46.56 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.0 tp -56.95 -35.77 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLY . 18.4 mtm -69.57 -36.56 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.45 -12.28 59.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.7 t -80.76 -41.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.9 mt -110.09 -61.53 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 118.94 34.62 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -112.18 -169.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -144.65 -45.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 t -136.62 100.11 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.8 tp10 -126.99 -177.33 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.522 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 67.8 p -92.7 -168.8 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.448 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.9 ttp180 -81.33 -45.24 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.5 mmp_? -52.26 -50.59 61.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' THR . 60.5 mt -62.25 -63.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 71.6 mt -39.42 -48.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.02 -49.08 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -46.16 -30.9 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.92 -37.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.5 m0 -59.55 -47.39 85.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -57.56 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.592 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 31.0 t80 -42.82 -57.99 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.0 t -41.07 -60.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -60.65 -32.91 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -52.43 -61.27 2.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.0 mpt_? -86.93 33.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.5 mptt 38.49 56.41 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' OD1' ' A' ' 57' ' ' ASP . 56.2 mt -93.57 -31.04 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -39.27 143.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -99.49 137.43 20.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -44.24 -48.49 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -132.85 123.59 18.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.94 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' PHE . 1.9 t -78.3 -35.55 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.0 m-85 -94.18 169.36 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 7.7 p90 -154.61 147.79 24.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -74.22 152.67 39.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.14 151.1 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.785 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -96.48 -49.49 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.11 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -92.54 -21.17 20.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HE2' ' A' ' 64' ' ' PHE . 13.7 mt -74.94 -25.65 59.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.58 -65.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -30.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.1 t -74.57 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.923 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.9 m-85 -84.29 -64.91 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.13 6.28 18.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -114.24 139.1 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.04 -40.23 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -141.33 161.82 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.923 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -147.43 163.79 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.7 mtpt -82.68 161.54 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.7 m-85 -83.07 -14.97 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 p -100.81 -34.38 9.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.467 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 65.9 mmm -64.29 -25.6 68.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 70' ' ' LYS . 72.6 t -49.74 -32.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -63.21 -48.05 79.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.81 30.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.1 mmtt -136.34 -47.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.868 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.9 pp -68.0 -33.09 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 p -44.88 -51.8 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -49.2 -35.49 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ILE . 99.5 m-70 -81.61 -34.85 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.577 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.868 HD11 ' CD1' ' A' ' 78' ' ' ILE . 42.5 mt -55.6 128.2 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -146.75 165.96 17.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.1 Cg_endo -75.03 141.06 26.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 28' ' ' THR . 3.7 mttm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.432 ' CD2' HD13 ' A' ' 82' ' ' LEU . 25.8 m-85 -129.98 129.02 43.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -57.93 152.18 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -98.94 150.64 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.19 168.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.6 m -59.82 -39.78 86.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.66 -45.27 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 63' ' ' VAL . 7.8 tp -60.03 -27.49 66.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.5 mtm -77.74 -22.73 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -9.68 43.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 17' ' ' ALA . 54.4 t -85.76 -27.61 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.3 mt -124.14 -65.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.98 37.25 0.72 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.738 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -112.87 -169.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -143.28 -44.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -140.06 104.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.2 tp10 -126.14 -161.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 32' ' ' ILE . 40.5 p -112.16 -162.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.6 ttp180 -81.37 -44.76 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.08 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 89.0 mtt-85 -36.6 -46.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 28' ' ' THR . 54.2 mt -67.42 -63.73 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 89.6 mt -40.34 -44.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.75 -49.93 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -45.33 -27.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.7 mt -87.2 -39.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 30.2 m0 -59.09 -52.28 66.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.6 t80 -38.38 -57.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.8 t -41.33 -68.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -55.48 -36.63 66.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -59.82 -33.24 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' TYR . 13.3 mmp_? -104.14 16.88 25.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp 47.76 41.71 14.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.926 HD21 ' OD1' ' A' ' 57' ' ' ASP . 40.3 mt -85.11 -27.92 25.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -38.91 144.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -104.47 131.22 22.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -41.93 -33.43 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -153.06 117.61 2.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.93 21.55 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -81.03 -14.09 58.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -116.83 176.39 5.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.9 p90 -162.24 145.42 11.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.37 155.95 31.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -90.08 159.29 16.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.926 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.82 -48.71 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 162.44 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.32 -16.8 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -78.4 -21.96 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -69.31 -63.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLN . 3.2 mmmt -39.6 -30.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 81' ' ' HIS . 79.0 t -75.79 -68.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.745 ' CG ' HD13 ' A' ' 69' ' ' LEU . 37.0 m-85 -85.47 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 108.61 16.51 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.95 136.67 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -42.5 -45.62 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' CE ' ' CD1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -140.1 159.06 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.745 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -143.18 170.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mttt -87.39 145.4 26.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.55 -19.22 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -91.86 -46.76 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.607 ' HB2' HD23 ' A' ' 69' ' ' LEU . 61.6 mmm -48.14 -35.2 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.579 HG13 ' CG2' ' A' ' 78' ' ' ILE . 57.9 t -39.83 -61.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 91.7 p -38.1 -49.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.3 tt0 -69.97 -55.99 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.706 ' HE3' HD11 ' A' ' 69' ' ' LEU . 28.5 mmtt -50.73 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 82' ' ' LEU . 2.0 pp -40.25 -39.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -47.5 -48.8 27.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -54.63 -36.53 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.535 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.7 m-70 -80.22 -36.87 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 78' ' ' ILE . 12.7 mt -52.48 120.92 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 156.3 66.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.8 7.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.443 1.76 . . . . 0.0 111.026 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HG2' HG22 ' A' ' 28' ' ' THR . 8.9 mttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.37 137.26 54.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 3.3 tttm -64.14 138.67 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -83.44 158.11 22.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -83.46 165.74 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -57.79 -36.85 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -81.62 -45.63 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -60.13 -38.21 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.84 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -3.47 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG22 ' HB1' ' A' ' 59' ' ' ALA . 55.5 t -89.89 -27.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 24' ' ' ILE . 1.4 mt -125.6 -57.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.53 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -116.42 -170.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.89 -43.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -155.8 101.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.42 166.79 11.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' HG2' ' A' ' 11' ' ' LYS . 10.3 p -71.57 157.71 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.599 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 ttm180 -52.4 -45.69 95.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 6.7 mmt180 -77.26 -56.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 49.6 mt -52.76 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 82.6 mt -41.77 -56.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -56.55 -50.55 71.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -42.8 -45.97 5.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.9 mt -71.21 -36.99 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 24.0 m0 -58.91 -52.33 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -65.24 -61.06 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -38.81 -54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.3 t -51.74 -56.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -51.82 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -92.05 14.64 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.69 38.66 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.722 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.8 mt -83.35 -25.08 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -40.41 146.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.43 129.71 31.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.22 -47.98 66.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -130.66 120.16 18.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -11.65 21.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.29 -28.65 27.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -101.37 172.47 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' HG11 ' A' ' 40' ' ' VAL . 19.7 p90 -156.35 156.09 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -75.3 140.74 43.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -107.29 108.89 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.665 ' OD1' HD21 ' A' ' 45' ' ' LEU . 16.0 m-20 -66.9 -174.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.3 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -75.07 -71.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.537 HD22 ' HE2' ' A' ' 64' ' ' PHE . 23.0 mt -41.69 -29.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.4 mt-30 -64.5 -63.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -28.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 18' ' ' LEU . 73.6 t -79.72 -69.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CG ' HD13 ' A' ' 69' ' ' LEU . 58.1 m-85 -75.55 -65.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.94 9.89 21.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -115.46 167.58 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.8 -38.12 62.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -146.38 162.03 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -149.19 164.1 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.755 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.6 mttt -83.35 148.45 27.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.53 -15.49 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.8 p -97.91 -39.12 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 69.0 mmm -62.0 -28.47 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' LYS . 39.7 t -40.24 -63.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.448 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 70.8 p -40.37 -53.91 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.61 -43.18 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HG3' HD21 ' A' ' 69' ' ' LEU . 29.0 mmtt -71.76 -70.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.828 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.5 pp -38.57 -32.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -45.24 -56.52 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.96 -30.91 16.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.59 ' CD2' HG13 ' A' ' 63' ' ' VAL . 89.3 m-70 -83.31 -30.76 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 78' ' ' ILE . 25.5 mt -60.4 111.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.7 m -123.06 161.08 46.73 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -134.61 142.01 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.96 167.49 19.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.59 151.42 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 169.56 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -56.49 -45.1 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -70.5 -48.72 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.623 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.3 tp -57.84 -39.16 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mtp -65.74 -10.15 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -0.68 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG22 ' HB1' ' A' ' 59' ' ' ALA . 49.5 t -91.51 -43.59 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 35' ' ' ALA . 12.4 mt -113.63 -55.08 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.22 33.86 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.8 pt -120.54 158.42 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.525 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -109.91 -28.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -159.02 112.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -137.33 167.35 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 81.7 p -62.39 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -83.92 -43.99 0.78 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 9.7 mmp_? -36.37 -44.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 50.6 mt -68.35 -63.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 74.8 mt -45.0 -46.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.12 -49.47 69.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.718 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.34 -37.94 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.6 mt -78.53 -32.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.0 m0 -61.94 -48.12 81.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -69.84 -45.94 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.636 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.3 t80 -52.15 -55.71 19.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.2 t -40.08 -59.1 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -47.77 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 10.7 mpt_? -86.27 32.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER 38.49 40.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 HD12 ' A' ' 60' ' ' LEU . 30.0 mt -76.65 -28.79 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -41.84 147.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.33 131.8 25.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.64 -58.72 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 119.33 40.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.29 20.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t -86.58 -16.22 37.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -109.81 179.81 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.2 p90 -168.41 156.48 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.45 136.1 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.1 m -102.05 105.58 16.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m-20 -57.32 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.65 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -69.76 -68.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 45' ' ' LEU . 77.5 mt -40.29 -34.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -61.37 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.26 -30.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.623 ' CG1' HD13 ' A' ' 18' ' ' LEU . 85.2 t -77.8 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CG ' HD13 ' A' ' 69' ' ' LEU . 72.7 m-85 -76.85 -67.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.12 -1.09 22.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.89 137.72 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -46.98 -44.4 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -134.94 156.76 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.812 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.03 168.15 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.761 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.6 mttt -88.6 151.77 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 m-85 -72.86 -17.33 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -97.03 -41.14 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 76.9 mmm -57.99 -32.06 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 70' ' ' LYS . 55.7 t -41.76 -28.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 73' ' ' MET . 8.9 m -67.73 -51.61 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' MET . 17.9 pt20 -89.27 34.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.71 ' CE ' HD21 ' A' ' 69' ' ' LEU . 6.6 mmtt -136.03 -54.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -63.29 -26.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 82' ' ' LEU . 94.7 p -49.58 -49.57 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -49.48 -29.24 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 86.3 m-70 -88.61 -35.56 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -51.8 129.78 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -130.59 159.13 72.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.16 8.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 6.9 mttp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 50.3 m-85 -162.83 144.56 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -76.78 149.35 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -100.16 153.11 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 m -82.43 169.58 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 m -57.98 -40.0 79.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.84 -46.55 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 63' ' ' VAL . 5.7 tp -60.9 -30.98 70.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtp -72.01 -23.34 61.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.67 -1.4 40.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' ALA . 50.7 t -91.2 -36.63 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.4 mt -119.06 -57.57 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.8 33.26 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 14' ' ' LEU . 1.3 pt -116.92 164.35 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.83 -39.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.79 100.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 2.4 tp10 -124.21 -159.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 32' ' ' ILE . 79.5 p -111.38 -165.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.25 -44.9 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CB ' ' HG3' ' A' ' 27' ' ' GLU . 1.3 mmp_? -41.47 -51.97 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 28' ' ' THR . 57.8 mt -60.86 -63.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 87.7 mt -40.67 -50.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.35 -50.71 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.72 -34.21 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.1 mt -82.92 -37.26 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.1 m0 -59.15 -54.19 49.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.495 ' ND1' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -60.6 -67.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 43' ' ' ARG . 36.2 t80 -37.96 -56.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.3 t -43.51 -64.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -56.86 -49.07 76.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.495 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . . . -52.9 -25.66 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 3.7 mmm180 -104.07 21.85 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 44.77 37.37 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 57' ' ' ASP . 24.7 mt -83.76 -31.52 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -38.82 141.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.46 131.05 39.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -74.94 -60.67 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.09 114.74 63.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.85 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -82.53 -15.67 51.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -111.81 173.24 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 11.0 p90 -156.14 146.94 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.444 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 m-80 -77.09 154.68 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.2 p -89.56 152.41 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 1.8 m-20 -95.91 -50.89 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.19 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.9 -24.94 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.7 mt -70.24 -20.48 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.44 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -39.83 -30.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 21' ' ' VAL . 77.0 t -72.9 -64.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.7 ' CG ' HD13 ' A' ' 69' ' ' LEU . 26.4 m-85 -92.86 -63.39 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.78 1.25 25.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.54 150.03 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -55.73 -44.66 77.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.9 159.42 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.7 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.35 169.57 17.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 15.5 mttt -85.45 146.59 26.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 21.0 m-85 -70.74 -10.49 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -101.43 -45.64 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.479 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 53.5 mmm -50.22 -33.28 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 78' ' ' ILE . 45.2 t -42.07 -59.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 33' ' ' ILE . 2.5 t -38.49 -34.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' MET . 2.0 tt0 -85.37 -55.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.698 ' HE3' HD11 ' A' ' 69' ' ' LEU . 24.3 mmtt -51.22 -52.42 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.796 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -55.14 -38.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -50.85 -43.36 59.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -17.95 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -99.08 -36.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 78' ' ' ILE . 19.5 mt -54.89 125.56 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 75.8 m -128.55 155.93 78.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.23 7.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 2.9 mtpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 83' ' ' SER . 5.1 m-85 -133.5 135.06 44.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 8.0 tttt -66.33 131.37 45.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 24' ' ' ILE . 3.5 mp -75.22 168.56 19.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 169.33 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -58.92 -30.43 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -88.29 -44.42 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 HG21 ' A' ' 63' ' ' VAL . 3.4 tp -62.62 -34.3 76.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG3' ' CB ' ' A' ' 14' ' ' LEU . 10.3 mtp -66.46 -18.21 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.1 -20.29 13.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.1 t -71.55 -31.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.763 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -119.86 -60.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.63 0.88 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -120.06 174.56 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 7.3 tp10 -117.55 -35.49 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -166.24 104.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -117.85 166.69 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 16.0 p -71.04 156.34 39.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.7 ttm180 -50.94 -46.08 87.7 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -12.2 21.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.535 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 8.2 mmp_? -92.89 -52.6 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 53.5 mt -55.24 -57.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 62.1 mt -48.68 -58.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -51.22 -49.9 60.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.763 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.84 -32.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 40' ' ' VAL . 59.7 mt -82.89 -38.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ALA . 27.0 m0 -60.99 -49.91 75.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -55.8 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.691 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.7 t80 -48.64 -55.33 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -42.11 -52.35 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -36.84 85.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -44.84 -60.19 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 3.2 mpt_? -86.75 22.13 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 46.14 50.62 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' HG13 ' A' ' 40' ' ' VAL . 37.4 mt -84.92 -18.22 35.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -47.92 139.32 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 125.96 57.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.52 9.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -73.99 -55.38 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.42 114.31 45.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.61 20.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -18.25 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.6 m-85 -110.03 177.73 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 35.4 p90 -159.0 148.05 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -65.73 157.71 29.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.7 p -103.96 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.868 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -130.62 -174.08 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.53 1.54 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -116.03 -44.55 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.7 mt -66.92 -29.11 68.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.3 mt-30 -64.48 -56.76 12.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -28.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG13 ' NE2' ' A' ' 81' ' ' HIS . 77.0 t -79.14 -69.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.75 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -82.93 -63.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 103.67 8.84 39.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -106.32 149.85 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.51 -43.23 68.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -150.61 158.79 44.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.92 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.5 mttt -87.42 137.83 32.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 12.8 m-85 -58.79 -16.71 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 p -95.23 -46.08 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 46.0 mmm -50.18 -35.66 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 78' ' ' ILE . 53.7 t -39.29 -63.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 18.7 t -37.01 -44.14 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.82 -47.44 53.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 69' ' ' LEU . 15.1 mmtt -63.96 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.825 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -39.85 -39.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.62 -52.01 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -44.63 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.683 ' NE2' HG13 ' A' ' 63' ' ' VAL . 97.4 m-70 -70.67 -33.06 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.825 HD11 ' CD1' ' A' ' 78' ' ' ILE . 15.5 mt -58.81 116.54 3.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -129.56 162.84 50.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.19 7.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -119.34 122.63 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -47.97 146.09 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -97.15 146.09 25.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 167.13 19.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -60.19 -36.43 77.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.79 -44.88 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 63' ' ' VAL . 4.5 tp -61.17 -26.24 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.4 mtm -77.68 -40.19 42.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.92 -17.41 61.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.6 t -72.0 -49.75 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 24' ' ' ILE . 6.1 mt -102.8 -61.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.3 35.92 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.527 HD12 ' HB2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -112.71 -172.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -44.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.94 91.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -116.17 162.23 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' ARG . 22.5 p -80.93 -173.45 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.4 ttm180 -81.66 -45.48 1.08 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -9.1 20.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.0 mtt180 -87.73 -52.51 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 42.7 mt -57.68 -62.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 72.5 mt -39.78 -54.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -61.04 -50.91 71.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.53 -42.53 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 40' ' ' VAL . 81.8 mt -74.13 -38.51 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 21.8 m0 -56.42 -35.44 67.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 9.0 t-80 -80.37 -61.12 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -39.69 -40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 36' ' ' ILE . 50.1 t -60.73 -65.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -55.57 -42.7 75.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -57.1 -47.46 81.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -83.83 6.48 21.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.33 51.76 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' HG13 ' A' ' 40' ' ' VAL . 83.0 mt -98.3 -27.44 14.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -41.46 133.23 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.0 128.59 78.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.58 20.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.52 -52.6 4.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -112.27 114.09 51.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.2 21.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -87.82 -20.71 25.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.1 m-85 -109.36 177.61 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 16.9 p90 -159.27 147.17 17.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.1 157.47 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.8 p -105.63 160.51 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 108.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD2' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -124.98 -174.02 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.5 1.96 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . . . -110.71 -51.03 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' OD1' ' A' ' 57' ' ' ASP . 29.8 mt -62.19 -36.06 80.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.04 -52.07 66.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.32 -29.45 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 18' ' ' LEU . 54.3 t -82.2 -72.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CG ' HD13 ' A' ' 69' ' ' LEU . 56.5 m-85 -76.61 -64.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 66' ' ' GLU . . . 103.49 7.3 42.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 66' ' ' GLU . 2.2 mp0 -105.13 146.76 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.88 -43.5 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -150.36 158.13 43.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -139.8 168.77 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 11.8 mttt -86.78 145.15 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 20.3 m-85 -66.3 -14.33 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -98.39 -45.83 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 35.7 mmm -51.23 -32.13 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 78' ' ' ILE . 55.0 t -39.08 -58.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 86.2 p -43.64 -46.55 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.9 tt0 -66.22 -55.68 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.662 ' HG3' HD21 ' A' ' 69' ' ' LEU . 39.6 mmtt -57.68 -68.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.1 pp -38.45 -33.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -49.44 -50.72 39.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -54.62 -20.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.613 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.9 m-70 -95.43 -37.47 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 78' ' ' ILE . 46.9 mt -54.58 114.78 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -134.11 164.48 43.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.01 140.37 25.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.515 1.798 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB3' HG12 ' A' ' 26' ' ' VAL . 2.7 mtpt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.59 167.01 9.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.66 156.69 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -86.4 160.96 18.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -35.25 61.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.0 -47.03 15.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD23 HD23 ' A' ' 14' ' ' LEU . 9.4 tp -58.68 -36.51 74.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.67 -34.25 76.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.28 0.55 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 17' ' ' ALA . 23.7 t -98.49 -56.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -95.53 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.99 1.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 14' ' ' LEU . 1.1 pt -117.49 162.19 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' HG23 ' A' ' 26' ' ' VAL . 15.0 pt-20 -112.64 -42.91 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 13' ' ' LYS . 16.3 t -140.65 108.16 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.1 tp10 -131.09 171.74 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 71.9 p -74.22 -164.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.4 ttp180 -83.51 -45.21 0.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -56.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.5 mmp_? -35.68 -41.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 28' ' ' THR . 56.4 mt -70.29 -61.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 66.4 mt -45.45 -48.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.01 -49.03 74.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.37 -36.52 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.602 HG13 HD21 ' A' ' 22' ' ' LEU . 80.5 mt -80.55 -32.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 28.0 m0 -62.83 -57.15 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -59.5 -63.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.636 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -38.75 -54.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.2 t -52.18 -50.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -51.28 67.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -51.93 -35.54 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.45 19.47 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.98 34.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.603 HD11 ' CG ' ' A' ' 57' ' ' ASP . 16.3 mt -77.62 -29.6 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . 53.2 tt0 -38.66 141.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -96.87 134.66 22.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.543 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -51.98 -48.12 64.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -127.58 118.41 21.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.63 20.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -85.55 -17.07 37.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 2.2 m-85 -109.57 166.83 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.1 p90 -151.91 145.72 25.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 m120 -77.27 155.15 32.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.59 156.79 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -100.71 -51.19 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.55 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.12 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 64' ' ' PHE . 17.2 mt -71.57 -23.02 61.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.07 -64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' GLN . 2.8 mtpp -39.6 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 81' ' ' HIS . 77.1 t -75.8 -65.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.675 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -89.54 -64.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.65 -4.79 26.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.61 144.44 28.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.55 -44.6 62.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -138.15 163.07 32.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.888 HD21 ' HE2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -149.29 167.65 25.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.698 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.2 mttt -86.75 151.66 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 16.7 m-85 -72.67 -20.05 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -93.68 -44.87 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 45.3 mmm -52.6 -35.42 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 70' ' ' LYS . 42.7 t -40.17 -55.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 47.3 t -37.45 -41.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.6 tt0 -75.42 -60.14 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.888 ' HE2' HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.4 pp -47.1 -39.32 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -46.88 -47.6 21.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -57.6 -28.94 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 63' ' ' VAL . 95.1 m-70 -87.31 -37.38 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 78' ' ' ILE . 13.4 mt -53.76 119.48 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 160.06 70.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.49 7.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CG ' ' HB3' ' A' ' 82' ' ' LEU . 6.6 m-85 -152.88 145.76 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' SER . 12.0 ttmt -74.87 149.18 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 ' CD2' HD12 ' A' ' 22' ' ' LEU . 3.0 mp -96.89 143.06 28.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' MET . 10.4 m -74.43 170.42 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 m -58.64 -26.76 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.89 -46.73 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 63' ' ' VAL . 3.8 tp -67.34 -22.46 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' SER . 7.9 mtm -77.46 -8.69 58.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 -2.18 13.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HB1' ' A' ' 59' ' ' ALA . 8.2 t -93.22 -24.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD12 ' CD2' ' A' ' 14' ' ' LEU . 4.4 mt -126.71 -56.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.96 10.3 8.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.816 HD12 ' HB2' ' A' ' 27' ' ' GLU . 3.6 pt -103.77 154.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -101.1 -24.2 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -167.38 122.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -141.18 161.45 37.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 32' ' ' ILE . 69.1 p -55.48 -164.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.631 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 ttp180 -84.09 -44.04 0.76 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 27' ' ' GLU . 89.4 mtt-85 -42.3 -52.04 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 28' ' ' THR . 53.5 mt -60.12 -66.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 91.7 mt -40.99 -49.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.49 -48.04 76.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.4 mt -86.11 -36.86 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.6 m0 -62.03 -49.71 74.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -57.48 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 45.6 t80 -46.92 -57.6 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.6 t -45.55 -64.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -51.77 -53.75 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -28.26 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 57' ' ' ASP . 8.0 mmm180 -101.99 21.45 14.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt 42.49 33.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.965 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.3 mt -81.46 -16.02 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -51.87 149.95 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.29 127.32 30.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.372 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.95 4.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -69.72 -59.31 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.5 114.94 52.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.39 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -86.03 -12.37 50.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -112.2 176.91 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 51.5 p90 -160.92 154.16 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.92 137.54 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 m -100.43 117.38 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.965 ' OD1' HD21 ' A' ' 45' ' ' LEU . 27.3 m-20 -71.34 -175.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -30.69 70.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -79.17 -59.75 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.9 mt -47.66 -25.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.25 -66.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -39.97 -29.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' A' ' 81' ' ' HIS . 72.0 t -75.14 -68.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.588 ' CG ' HD13 ' A' ' 69' ' ' LEU . 49.3 m-85 -80.8 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.02 8.96 25.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.34 159.83 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.58 -48.46 79.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 2.8 pttm -138.53 163.61 31.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.588 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -147.34 165.35 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.6 mttt -85.13 133.38 34.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 10.5 m-85 -55.46 -20.07 11.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -90.87 -47.01 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.491 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 74.3 mmm -56.89 -23.27 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 11.5 t -39.71 -57.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 2.8 t -47.86 -54.78 11.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.95 -18.98 15.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.551 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.5 mmtt -95.08 -72.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.891 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.7 pp -38.78 -41.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.473 ' N ' HD12 ' A' ' 78' ' ' ILE . 39.4 m -45.25 -47.69 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 5.2 t-80 -51.82 -32.96 33.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.626 ' CD2' HG13 ' A' ' 63' ' ' VAL . 93.6 m-70 -87.4 -36.91 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.663 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 78' ' ' ILE . 44.6 mt -48.03 119.38 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.2 m -131.04 163.6 48.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.64 8.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 83' ' ' SER . 61.4 m-85 -138.14 133.09 32.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 2.5 mttm -60.61 169.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 158.75 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.9 p -85.46 168.57 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.07 71.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.998 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -82.03 -46.19 14.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' VAL . 4.3 tp -62.84 -26.68 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' SER . 21.8 mtp -74.58 -32.09 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.56 0.19 57.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.4 t -92.84 -50.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' HB1' ' A' ' 35' ' ' ALA . 8.1 mt -102.51 -56.25 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.24 1.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.3 pt -124.47 156.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.596 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -107.78 -25.73 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.596 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -162.42 111.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.695 ' HB2' HD12 ' A' ' 24' ' ' ILE . 3.0 tp10 -134.08 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 55.8 p -58.51 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.636 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -82.99 -43.72 0.87 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.96 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 3.6 mmt180 -36.18 -44.72 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 54.3 mt -67.51 -64.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 64.6 mt -41.09 -43.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.43 -48.79 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.41 -30.76 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.81 -37.07 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 32.9 m0 -60.67 -42.28 96.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.84 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.586 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -41.24 -47.92 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.2 t -55.5 -63.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -52.83 -46.93 67.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.89 70.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.32 10.42 22.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.49 31.27 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' OD1' ' A' ' 57' ' ' ASP . 48.0 mt -78.99 -29.31 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -39.77 142.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.18 135.33 22.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -49.55 -60.33 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 53' ' ' PHE . 20.2 t70 -116.88 118.74 36.11 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.35 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -80.65 -14.91 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.3 m-85 -112.6 177.66 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 11.0 p90 -160.31 151.18 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 68.2 m-80 -69.43 151.97 45.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.8 p -92.51 175.87 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 108.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.77 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.26 -177.27 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.14 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -113.49 -37.93 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.77 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.3 mt -73.83 -36.58 64.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.61 -53.75 54.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -46.56 -25.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.648 HG13 ' NE2' ' A' ' 81' ' ' HIS . 69.5 t -89.33 -71.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.62 ' CG ' HD13 ' A' ' 69' ' ' LEU . 44.7 m-85 -72.65 -65.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.05 16.37 21.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -116.53 163.01 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -66.88 -40.93 87.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -150.13 160.41 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -144.47 165.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 74' ' ' VAL . 8.5 mtpt -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.67 -17.77 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 p -96.1 -37.61 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.479 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 51.1 mmm -64.75 -22.61 67.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 70' ' ' LYS . 23.3 t -42.8 -40.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -41.87 79.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -68.61 -6.9 28.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.7 mmtt -113.26 -70.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.4 pp -39.98 -34.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.463 ' HA ' HD12 ' A' ' 82' ' ' LEU . 27.6 p -45.16 -55.04 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -30.36 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.648 ' NE2' HG13 ' A' ' 63' ' ' VAL . 99.0 m-70 -86.13 -35.64 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 78' ' ' ILE . 69.1 mt -54.02 109.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -113.7 161.9 25.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.91 7.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB3' HG12 ' A' ' 26' ' ' VAL . 20.6 mttp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -142.47 151.43 41.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.55 152.34 37.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -98.74 157.62 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 171.3 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.57 -40.02 92.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -78.82 -46.06 19.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' CG1' ' A' ' 63' ' ' VAL . 11.4 tp -57.7 -38.5 75.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 9.9 mtp -60.84 -43.67 97.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.16 -19.07 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 17' ' ' ALA . 39.5 t -68.74 -39.11 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -114.09 -60.34 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.18 33.38 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -113.56 -169.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -141.93 -44.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 11' ' ' LYS . 6.7 t -146.53 110.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.7 mt-10 -131.54 151.33 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 31' ' ' ARG . 7.3 p -62.7 157.85 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -47.35 -47.96 57.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.98 -31.55 6.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.54 1.81 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' N ' ' A' ' 28' ' ' THR . 6.0 mmt85 -65.87 -63.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 48.4 mt -37.49 -66.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 29' ' ' ARG . 25.3 mt -39.86 -61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -44.86 -48.97 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.657 ' C ' HD22 ' A' ' 22' ' ' LEU . . . -46.76 -35.37 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.725 HG12 HD21 ' A' ' 22' ' ' LEU . 89.7 mt -78.18 -35.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' NE1' HG22 ' A' ' 33' ' ' ILE . 33.7 m0 -61.14 -60.11 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.45 -52.48 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 46.5 t80 -51.77 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.76 HG13 ' HB2' ' A' ' 45' ' ' LEU . 70.7 t -49.52 -40.35 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -48.41 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.99 74.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -69.43 -6.88 33.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' GLN . 1.4 mmmp? 71.67 6.9 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.79 HD21 ' OD1' ' A' ' 57' ' ' ASP . 13.4 mt -47.79 -24.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LYS . 63.9 tt0 -40.72 138.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.7 140.31 31.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.79 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -68.58 -70.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 120.47 58.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.34 20.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -83.0 -35.86 25.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 68' ' ' LYS . 1.9 m-85 -85.88 178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 28.7 p90 -168.72 151.1 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' O ' HD13 ' A' ' 45' ' ' LEU . 12.2 m120 -84.59 154.75 22.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.6 p -86.69 142.53 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.79 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.95 -51.39 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.46 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 -23.04 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' CD1' ' A' ' 45' ' ' LEU . 16.0 mt -70.02 -21.4 63.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -65.16 -66.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.662 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.9 t -75.03 -66.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.588 ' HE2' HD22 ' A' ' 60' ' ' LEU . 55.3 m-85 -86.89 -65.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 111.2 11.26 18.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.42 143.3 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mm-40 -47.5 -47.55 27.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -133.5 -177.78 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -168.46 170.38 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.0 mttt -92.83 143.81 25.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' SER . 5.4 m-85 -65.65 -19.36 65.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 p -91.72 -45.53 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 71.0 mmm -54.13 -27.32 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 78' ' ' ILE . 36.8 t -45.86 -26.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -71.48 -44.1 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' MET . 1.1 pt20 -90.44 26.84 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.859 ' HE3' HD21 ' A' ' 69' ' ' LEU . 18.8 mmtt -134.97 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -64.67 -34.87 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 82' ' ' LEU . 84.5 p -45.11 -56.14 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -27.38 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.3 m-70 -89.11 -33.71 16.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' A' ' 78' ' ' ILE . 86.8 mt -53.22 145.44 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.65 160.61 46.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 124.45 8.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' HG22 ' A' ' 28' ' ' THR . 7.1 mttm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 82' ' ' LEU . 59.9 m-85 -125.14 134.27 52.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -70.91 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 24' ' ' ILE . 2.8 mp -72.32 166.51 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -95.04 178.07 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -64.04 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.6 -46.11 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 63' ' ' VAL . 3.1 tp -58.06 -46.93 84.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mtp -58.13 -15.23 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.5 -0.94 29.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.2 t -93.27 -54.05 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 35' ' ' ALA . 16.7 mt -100.04 -57.11 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.46 34.99 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.912 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.3 pt -119.55 158.86 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.774 ' HG3' HG12 ' A' ' 26' ' ' VAL . 2.0 pt-20 -98.43 -35.84 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -160.88 109.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.912 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.4 tp10 -121.4 179.04 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 67.2 p -81.1 -163.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.08 -43.6 0.76 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.05 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 88.4 mtt-85 -35.75 -45.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' THR . 41.1 mt -68.54 -63.37 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 58.4 mt -42.91 -47.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.89 -50.8 38.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -46.07 -28.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.36 -38.29 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -57.2 -40.19 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 107.95 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -76.69 -48.64 18.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.756 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.0 t80 -52.04 -55.57 19.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.32 -58.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.3 -34.33 72.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -50.75 -61.21 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.8 mpt_? -86.73 32.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.6 mmtt 39.47 46.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.955 HD11 ' OD2' ' A' ' 57' ' ' ASP . 40.0 mt -83.65 -35.11 24.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -39.75 143.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -97.41 133.8 23.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -49.89 -48.52 51.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -125.35 120.36 24.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.21 20.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -82.02 -37.26 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -92.23 172.75 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 13.3 p90 -158.94 152.4 22.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.84 151.06 47.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.8 p -91.96 -176.03 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.955 ' OD2' HD11 ' A' ' 45' ' ' LEU . 1.5 m-20 -145.32 -171.22 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.87 -9.94 59.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.0 -35.6 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 45' ' ' LEU . 13.3 mt -70.32 -28.66 65.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -67.73 -62.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.97 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' CD2' ' A' ' 81' ' ' HIS . 84.7 t -79.45 -67.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HE2' HD22 ' A' ' 60' ' ' LEU . 64.3 m-85 -83.36 -65.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 104.99 6.73 39.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' A' ' 66' ' ' GLU . 2.0 mp0 -108.85 134.14 51.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 15.1 pt-20 -40.3 -44.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -145.12 160.8 40.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -144.68 165.25 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.0 mttt -84.12 157.36 21.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 52' ' ' SER . 8.0 m-85 -77.14 -14.76 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -100.55 -36.12 9.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.546 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.7 mmm -62.03 -28.59 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.7 t -44.68 -30.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 p -67.86 -46.82 70.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' MET . 16.9 pt20 -90.24 29.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.647 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -135.93 -52.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.27 -31.03 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.7 p -47.33 -31.54 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -40.45 93.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.825 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.5 m-70 -74.86 -34.4 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 78' ' ' ILE . 28.3 mt -53.77 121.34 7.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -125.99 164.1 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.77 5.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.031 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' SER . 11.6 m-85 -134.73 130.68 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.81 174.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -125.74 159.2 32.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -104.49 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -39.08 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.837 ' HB1' ' HG3' ' A' ' 62' ' ' LYS . . . -73.84 -53.4 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -69.14 -28.8 66.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -64.55 -47.31 79.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.42 -26.74 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.8 t -69.79 -59.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -96.61 -68.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 124.81 35.19 0.65 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.711 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.5 pt -121.19 156.31 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -100.47 -34.66 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.519 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -156.47 117.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.711 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.8 tp10 -135.75 171.66 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 52.5 p -69.69 -169.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.1 ttp180 -82.58 -44.72 0.94 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -41.62 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.7 mmp_? -50.12 -49.82 50.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' THR . 50.8 mt -64.8 -65.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 94.8 mt -40.81 -45.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.94 -48.01 64.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -48.0 -26.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.79 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -88.56 -34.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.7 m0 -63.9 -52.36 60.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -63.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.794 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.3 t80 -39.63 -57.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 36' ' ' ILE . 32.2 t -41.43 -62.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -56.25 -33.2 65.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -53.21 -61.42 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.3 mpt_? -79.97 6.6 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.2 31.74 20.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD21 ' OD1' ' A' ' 57' ' ' ASP . 62.3 mt -69.67 -17.5 63.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -49.34 146.56 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.36 135.23 21.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -46.56 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -58.04 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.46 118.52 39.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.97 19.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' PHE . 67.5 m -86.27 -15.66 40.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -109.23 176.26 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 18.9 p90 -165.18 156.16 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.02 138.83 41.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.9 m -97.11 114.69 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.83 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.98 55.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -85.85 -59.62 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.562 HD12 HD13 ' A' ' 45' ' ' LEU . 23.7 mt -45.42 -26.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' ALA . 10.9 mt-30 -71.46 -48.53 48.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -53.61 -22.67 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.92 HG13 ' CD2' ' A' ' 81' ' ' HIS . 78.7 t -89.3 -70.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.624 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.3 m-85 -74.59 -65.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.37 -2.53 32.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.62 143.64 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -50.94 -42.01 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -139.83 168.03 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -156.28 165.65 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.7 mtpt -87.67 156.32 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' SER . 15.7 m-85 -76.87 -12.2 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -102.82 -36.79 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.5 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.1 mmm -61.71 -24.36 66.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 70' ' ' LYS . 54.7 t -47.69 -34.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t -65.88 -43.07 89.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.41 25.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.6 mmtt -135.69 -46.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.664 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -72.11 -29.04 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -47.24 -25.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -40.48 73.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.92 ' CD2' HG13 ' A' ' 63' ' ' VAL . 91.3 m-70 -75.84 -28.31 58.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 78' ' ' ILE . 26.6 mt -61.81 126.05 25.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -130.97 161.06 63.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD2' HD13 ' A' ' 82' ' ' LEU . 28.9 m-85 -125.39 142.45 51.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.09 174.66 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -124.72 146.85 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 170.97 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -58.7 -42.55 88.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -74.94 -47.4 29.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 14' ' ' LEU . 6.9 tp -53.55 -33.37 54.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.11 73.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 4.2 42.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 63' ' ' VAL . 47.3 t -96.8 -34.99 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.1 mt -127.8 -57.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 31.63 1.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -115.55 158.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 26' ' ' VAL . 13.9 pt-20 -109.0 -43.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' A' ' 13' ' ' LYS . 15.3 t -139.13 110.78 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.5 tp10 -133.84 177.5 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 80.6 p -86.31 -168.29 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -80.63 -43.73 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -51.03 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -42.13 -45.08 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 28' ' ' THR . 32.8 mt -70.43 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 34.0 mt -41.62 -42.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -71.71 -52.34 18.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -43.78 -32.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.9 mt -80.57 -42.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.1 m0 -51.85 -56.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' TYR . 15.8 t-80 -61.57 -65.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' HIS . 50.8 t80 -36.25 -51.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' ILE . 73.6 t -52.7 -58.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.02 -49.06 79.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.95 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.14 24.36 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' LYS . 5.0 mttt 39.87 45.24 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.678 HD11 ' OD1' ' A' ' 57' ' ' ASP . 33.0 mt -88.52 -27.06 21.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -41.75 130.07 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -85.39 134.26 40.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -42.63 -41.87 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.32 126.45 8.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -48.9 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 7.2 m-85 -92.13 161.04 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CG ' HG11 ' A' ' 40' ' ' VAL . 7.5 p90 -145.47 146.85 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.506 ' O ' HD22 ' A' ' 45' ' ' LEU . 8.8 m-80 -64.0 155.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.8 p -92.83 132.49 36.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -73.28 -55.33 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.7 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.05 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' HE2' ' A' ' 64' ' ' PHE . 11.0 mt -77.76 -18.95 55.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -72.59 -65.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 21' ' ' VAL . 87.0 t -78.09 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.951 ' CG ' HD13 ' A' ' 69' ' ' LEU . 36.4 m-85 -91.25 -66.42 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 106.35 19.22 10.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLU . 2.4 mt-10 -120.09 134.01 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . 14.5 pt-20 -38.74 -44.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.1 pttm -145.26 153.64 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.951 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -133.79 160.99 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 mtpt -81.65 167.63 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.5 m-85 -96.41 -3.6 43.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.3 p -116.09 -30.55 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.597 ' SD ' HD21 ' A' ' 69' ' ' LEU . 2.4 ppp? -83.85 12.47 6.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 38.9 t -75.77 -35.48 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -23.7 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 73' ' ' MET . 4.4 pt20 -95.77 19.78 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HE3' HD11 ' A' ' 69' ' ' LEU . 10.0 mmtt -136.66 -55.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.926 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.3 pp -58.17 -37.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 p -38.68 -61.13 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -41.15 -46.22 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.54 ' HB3' HD22 ' A' ' 18' ' ' LEU . 98.6 m-70 -67.09 -42.95 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.8 mt -52.42 115.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -130.11 158.12 75.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -138.85 127.37 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -59.2 135.44 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.71 159.04 20.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.85 167.22 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -61.77 -41.61 97.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.77 -49.5 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 14' ' ' LEU . 6.8 tp -58.68 -42.11 87.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.65 -14.11 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -99.06 -15.81 18.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' ALA . 76.3 t -80.87 -53.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 24' ' ' ILE . 1.9 mt -94.33 -62.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.57 35.7 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.571 HD12 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -112.89 -170.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.71 -44.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -135.4 96.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -125.98 160.0 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 71.9 p -67.31 -165.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.1 ttm180 -82.84 -46.14 0.88 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 1.5 mmt180 -36.36 -38.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' THR . 62.5 mt -71.55 -62.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 30.4 mt -40.85 -44.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.88 -48.69 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.95 -29.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CD1' HG21 ' A' ' 78' ' ' ILE . 93.9 mt -84.58 -36.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.9 m0 -60.57 -43.67 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -68.75 -58.61 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -39.55 -49.24 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 19.5 t -54.58 -69.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -49.42 -43.39 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.51 74.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -94.73 16.87 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.27 31.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.922 HD21 ' OD1' ' A' ' 57' ' ' ASP . 28.1 mt -77.34 -27.52 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.8 tt0 -38.36 146.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.33 134.36 25.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.42 3.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -74.14 -56.24 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.06 117.41 50.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -18.28 18.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 10.8 p -82.62 -28.55 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 1.5 m-85 -100.49 173.0 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 6.3 p90 -162.36 149.71 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 45' ' ' LEU . 19.2 m-80 -71.56 149.02 46.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -91.65 138.31 31.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.922 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -81.3 -69.32 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . -179.54 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -83.15 -24.24 32.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD22 ' HE2' ' A' ' 64' ' ' PHE . 12.7 mt -72.45 -27.24 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -63.94 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -39.19 -30.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 61' ' ' GLN . 97.1 t -76.56 -62.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.907 ' CG ' HD13 ' A' ' 69' ' ' LEU . 47.2 m-85 -90.16 -65.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 107.1 26.76 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.15 143.74 50.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.68 -42.35 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 53' ' ' PHE . 2.4 pttm -140.33 163.81 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.907 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.4 159.27 44.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.4 mtpt -82.3 171.65 14.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 29.0 m-85 -99.53 -8.78 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.6 p -109.33 -29.51 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.584 ' SD ' HD21 ' A' ' 69' ' ' LEU . 1.9 ppp? -85.18 15.06 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 17.8 t -82.64 -29.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -27.59 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -97.46 25.05 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CE ' ' SD ' ' A' ' 73' ' ' MET . 10.0 mmtt -136.53 -52.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.831 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.7 pp -64.12 -34.19 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -40.7 -54.71 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -45.15 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ILE . 97.1 m-70 -68.3 -37.64 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.831 HD11 ' CD1' ' A' ' 78' ' ' ILE . 31.3 mt -56.99 124.59 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -134.86 161.61 62.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.78 8.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mttt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 83' ' ' SER . 12.4 m-85 -131.11 144.78 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 159.27 34.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -111.13 156.86 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -84.63 166.8 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.8 m -56.32 -43.35 78.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.06 -46.86 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 63' ' ' VAL . 4.8 tp -60.09 -27.29 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' SER . 25.5 mtp -73.51 -39.46 64.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.18 -11.04 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ALA . 71.1 t -80.14 -38.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.3 mt -115.7 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.55 36.08 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.2 pt -124.58 155.32 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.56 -23.78 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -149.69 104.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -131.86 175.73 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HD2' ' A' ' 31' ' ' ARG . 26.8 p -92.77 -173.36 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.7 ttm180 -81.66 -45.28 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -74.99 -8.78 20.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 76.7 mtt-85 -89.73 -50.41 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 82' ' ' LEU . 20.2 mt -62.01 -61.22 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 45.2 mt -39.88 -49.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -66.65 -51.14 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -43.94 -36.2 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' CD1' HG21 ' A' ' 78' ' ' ILE . 88.8 mt -77.06 -40.59 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.5 m0 -53.55 -46.25 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.94 -59.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -38.26 -56.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.925 HG13 ' HB2' ' A' ' 45' ' ' LEU . 77.3 t -53.62 -49.77 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -49.77 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -57.9 -59.32 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -11.94 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER 66.04 42.65 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.925 ' HB2' HG13 ' A' ' 40' ' ' VAL . 61.2 mt -86.15 -20.58 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -40.97 137.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' A' ' 49' ' ' ASN . 1.3 m120 -88.12 132.42 39.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 3.1 p-10 -59.4 -54.62 44.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.47 125.26 25.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.92 21.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 37.9 m -84.22 -25.46 29.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -106.56 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 p90 -163.49 151.83 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.3 150.39 49.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 67' ' ' GLU . 14.7 p -91.55 170.43 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.49 -176.06 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.0 -0.44 27.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -112.02 -47.86 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.4 mt -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.26 -57.98 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.88 -26.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 18' ' ' LEU . 87.4 t -87.76 -71.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 69' ' ' LEU . 39.1 m-85 -73.86 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.6 45.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.74 133.33 48.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 12.5 pt-20 -39.87 -41.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 2.6 pttm -140.27 176.0 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -162.6 152.78 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -74.28 171.96 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -98.56 -6.09 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -113.86 -25.16 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.581 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 2.4 ptm -84.03 -4.75 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 70' ' ' LYS . 4.6 t -53.54 -56.86 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' SER . 23.3 t -40.3 -64.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -42.35 -31.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 69' ' ' LEU . 36.7 mmtt -86.53 -79.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 79' ' ' SER . 2.6 pp -37.04 -38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 78' ' ' ILE . 60.7 p -38.85 -56.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -45.54 -48.75 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.605 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.1 m-70 -62.8 -41.21 99.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.1 mt -51.12 131.79 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -142.02 157.43 64.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.97 9.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.13 -58.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.68 137.89 51.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 -137.5 3.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -141.72 79.78 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.62 118.11 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.976 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.09 -132.72 21.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -53.5 156.03 4.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -122.73 132.73 54.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -123.83 146.76 48.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.59 135.87 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 128.61 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -75.69 154.07 36.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.8 p -82.31 165.59 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.86 -43.31 85.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 -46.29 27.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.519 HD13 ' CG1' ' A' ' 63' ' ' VAL . 8.9 tp -59.56 -32.3 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' SER . 24.7 mtm -73.87 -29.68 62.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -10.1 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' CE2' ' A' ' 39' ' ' TYR . 8.3 t -83.86 -52.07 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 24' ' ' ILE . 1.5 mt -96.57 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.49 0.88 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.85 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -111.98 -169.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.42 -44.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -138.03 105.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -131.8 -179.35 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 60.8 p -89.9 -162.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.605 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.4 ttp180 -82.83 -45.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.02 -57.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' PRO . 83.4 mtt180 -35.51 -41.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.2 mt -71.39 -63.0 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 69.2 mt -43.85 -43.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -70.83 -47.8 57.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -47.52 -30.07 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 40' ' ' VAL . 93.7 mt -82.85 -35.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.7 m0 -61.64 -50.66 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HG13 ' A' ' 21' ' ' VAL . 49.8 t80 -43.05 -54.34 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.0 t -46.18 -63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' LYS . 25.4 mttt -55.89 -46.77 78.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.94 -44.12 40.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.93 23.71 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LYS . 25.0 mtmt 41.4 47.04 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 57' ' ' ASP . 28.3 mt -91.26 -27.67 18.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -38.99 141.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.4 132.57 23.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -53.3 -46.71 69.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -128.72 119.2 20.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.7 21.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -90.53 -28.38 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.8 m-85 -99.54 161.17 13.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CB ' HG11 ' A' ' 40' ' ' VAL . 10.3 p90 -146.68 143.58 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -70.35 164.18 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.1 p -100.41 151.24 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.91 -50.41 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.14 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.68 -19.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.3 mt -76.0 -25.4 55.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -66.75 -64.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -39.42 -30.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.3 t -74.41 -67.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 60' ' ' LEU . 58.0 m-85 -85.27 -64.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 116.62 -6.43 18.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.66 145.29 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.06 -41.14 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pttp -144.36 160.3 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.854 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -145.4 170.02 17.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 9.6 mttt -84.45 159.72 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' SER . 10.2 m-85 -79.12 -14.0 59.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 p -101.56 -40.12 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.591 ' HB2' HD23 ' A' ' 69' ' ' LEU . 4.6 mmt -55.2 -32.74 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.635 HG13 ' CG2' ' A' ' 78' ' ' ILE . 64.1 t -42.88 -37.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.434 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 5.6 t -60.57 -46.59 89.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' MET . 9.2 pt20 -90.6 26.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.854 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.0 mmtt -134.9 -50.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.862 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.03 -34.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' LEU . 73.6 p -41.37 -58.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -44.28 -42.97 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.81 -36.72 73.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.862 HD11 ' CD1' ' A' ' 78' ' ' ILE . 32.9 mt -57.03 136.35 56.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -141.35 161.8 50.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.98 9.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 167.47 26.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.3 m -118.84 111.91 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.0 172.41 16.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.03 42.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.43 166.91 25.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -145.43 -58.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m 61.22 159.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -135.65 122.37 21.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.88 80.97 1.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.54 110.88 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.18 129.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.95 121.5 3.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.9 m -52.12 156.88 2.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.53 3.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' CG ' ' CZ ' ' A' ' 12' ' ' PHE . 15.1 pt-20 -114.32 -174.33 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -110.44 165.79 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CZ ' ' CG ' ' A' ' 10' ' ' GLU . 55.0 m-85 -150.38 131.37 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -60.39 172.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 24' ' ' ILE . 1.9 mp -119.26 152.21 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -80.65 174.12 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.81 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.888 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -86.6 -45.1 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 63' ' ' VAL . 4.8 tp -64.03 -20.58 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.4 mtm -76.86 -36.32 56.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 0.4 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.5 t -86.5 -50.35 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.891 HD22 ' HB1' ' A' ' 35' ' ' ALA . 7.0 mt -106.15 -51.51 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.7 25.18 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.8 pt -116.49 155.47 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -105.3 -26.89 11.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -160.79 110.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.827 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.9 tp10 -133.57 166.91 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 51.8 p -62.99 -170.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp180 -81.36 -44.57 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.94 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.3 mmp_? -41.34 -43.96 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 28' ' ' THR . 39.4 mt -68.25 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 57.3 mt -42.46 -45.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.75 -50.31 65.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -45.5 -37.84 5.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.875 ' O ' HG23 ' A' ' 40' ' ' VAL . 60.1 mt -78.41 -34.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 22.8 m0 -59.47 -43.29 93.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.642 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 1.1 t60 -75.79 -61.31 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 64.7 t80 -36.89 -38.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 36' ' ' ILE . 76.7 t -68.19 -62.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -36.99 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.642 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -68.96 -40.16 79.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -89.54 21.75 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.64 38.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.759 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.0 mt -85.63 -26.25 26.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -42.29 151.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.37 131.17 29.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -30.88 6.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -78.22 -65.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -97.54 113.4 63.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.85 21.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 58.0 m -94.72 -11.38 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -114.08 178.16 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HB2' HG11 ' A' ' 40' ' ' VAL . 16.1 p90 -167.41 156.87 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -74.86 132.77 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.28 102.43 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.759 ' OD1' HD21 ' A' ' 45' ' ' LEU . 13.6 m-20 -53.44 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -74.18 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 45' ' ' LEU . 52.8 mt -43.09 -28.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.64 -67.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -41.02 -29.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 18' ' ' LEU . 79.4 t -77.26 -67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.716 ' CG ' HD13 ' A' ' 69' ' ' LEU . 62.8 m-85 -77.05 -67.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.61 1.81 24.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -111.47 143.03 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.4 pt-20 -50.55 -44.42 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -137.7 158.67 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.69 167.68 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.1 mttt -87.97 155.09 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.92 -16.75 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -98.15 -43.25 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.505 ' HB2' HD23 ' A' ' 69' ' ' LEU . 66.4 mmm -53.62 -29.74 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 70' ' ' LYS . 68.9 t -43.4 -34.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -66.35 -45.43 80.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.3 OUTLIER -90.53 28.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.636 ' HE3' HD21 ' A' ' 69' ' ' LEU . 13.4 mmtt -135.86 -52.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.2 pp -67.3 -32.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -47.28 -33.1 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' ILE . 95.9 m-70 -80.07 -30.64 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 78' ' ' ILE . 37.1 mt -56.09 113.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.7 m -115.4 158.66 40.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 123.12 7.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 18.4 Cg_endo -74.99 146.03 32.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 18.5 Cg_endo -74.97 -63.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 -57.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.61 110.15 2.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.9 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.2 p -101.38 158.31 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.11 141.13 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.068 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.42 162.35 41.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.25 164.09 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 -101.89 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -103.91 -62.95 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 0.791 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p 63.78 164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 -58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.78 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -95.89 144.4 27.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.78 ' HD2' HG12 ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.0 -169.73 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.13 135.09 53.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -124.29 149.74 46.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -131.82 159.5 38.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -87.17 145.35 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -97.6 146.23 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.2 170.13 16.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -63.21 -39.12 93.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.2 -48.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 14' ' ' LEU . 7.9 tp -61.37 -42.26 98.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.11 -14.37 23.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.95 -6.96 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.716 HG22 ' HB1' ' A' ' 59' ' ' ALA . 38.7 t -87.32 -52.12 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 35' ' ' ALA . 4.2 mt -100.49 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.5 35.2 0.94 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -111.15 -169.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -145.69 -45.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -139.76 98.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.9 tp10 -127.44 174.12 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.6 p -75.06 -166.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.594 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.3 ttm-85 -82.52 -46.0 0.93 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.0 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.6 mmp_? -35.73 -39.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.3 mt -73.83 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 85.6 mt -44.37 -44.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.64 -50.25 52.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.87 -29.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 95.7 mt -84.76 -40.28 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.0 m0 -56.44 -40.61 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.28 -62.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -40.59 -43.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ILE . 69.7 t -59.85 -56.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -34.87 76.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.41 97.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.66 8.33 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 55.08 35.21 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 44.6 mt -79.92 -27.82 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -41.49 143.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -97.36 132.31 25.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.05 -47.86 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -127.14 120.01 22.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.71 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -91.51 -41.19 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -85.96 177.6 7.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 47.6 p90 -165.83 155.96 12.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -71.67 143.57 49.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -115.17 105.92 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.1 m-20 -67.27 -171.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.15 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -68.26 -70.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 49.2 mt -42.92 -31.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.54 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -42.55 -29.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 18' ' ' LEU . 73.9 t -75.17 -69.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.798 ' CG ' HD13 ' A' ' 69' ' ' LEU . 50.2 m-85 -81.77 -64.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 109.99 18.91 8.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.59 143.5 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -46.11 -48.26 17.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 1.4 pttm -138.54 166.23 24.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -148.5 167.04 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 18.0 mttt -88.28 143.84 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' SER . 4.5 m-85 -62.08 -21.52 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.7 p -90.98 -43.41 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.66 ' HB2' HD23 ' A' ' 69' ' ' LEU . 21.9 mmt -52.05 -37.52 53.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 70' ' ' LYS . 83.2 t -41.94 -35.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -62.02 -51.37 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -91.06 31.45 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.725 ' HE3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -133.08 -46.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.873 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -66.3 -34.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 53.7 p -41.49 -57.9 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -37.47 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.452 ' CD2' HG13 ' A' ' 63' ' ' VAL . 98.4 m-70 -77.36 -38.48 50.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.873 HD11 ' CD1' ' A' ' 78' ' ' ILE . 48.1 mt -53.6 138.27 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 156.52 76.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.66 8.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.31 5.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -77.28 135.05 38.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.98 -144.78 4.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.5 4.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.49 135.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t 65.03 97.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t 50.16 91.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.23 163.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.6 -93.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.17 -53.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.985 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.82 77.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.41 170.6 2.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.3 m -51.06 154.39 2.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 167.16 27.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -119.22 131.22 55.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -83.65 157.73 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HD2' HD13 ' A' ' 82' ' ' LEU . 25.1 m-85 -118.36 133.9 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -63.57 135.3 56.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.05 153.88 22.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 165.39 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -59.65 -34.49 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -85.13 -44.72 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 63' ' ' VAL . 9.9 tp -62.7 -25.16 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 23.1 mtm -78.05 -36.48 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.46 -15.12 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 17' ' ' ALA . 75.2 t -77.89 -39.44 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 35' ' ' ALA . 9.8 mt -110.62 -61.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 119.59 36.01 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -114.16 -170.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -143.88 -44.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -137.42 102.35 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.1 tp10 -132.67 171.89 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 61.5 p -81.32 -162.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.9 ttm180 -83.1 -44.68 0.86 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.6 Cg_endo -74.95 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PRO . 79.7 mtt-85 -35.63 -40.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 28' ' ' THR . 45.7 mt -73.62 -62.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 62.7 mt -42.62 -40.91 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.93 -48.54 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.58 -34.54 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.3 mt -78.11 -35.79 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -59.92 -46.79 88.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -60.45 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -42.31 -52.53 4.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.4 t -50.0 -61.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' LYS . 13.3 mtpt -54.82 -50.34 68.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -34.98 29.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 45' ' ' LEU . 1.1 mmp_? -95.43 26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 2.2 mmtt 41.5 29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD21 ' OD1' ' A' ' 57' ' ' ASP . 38.2 mt -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -41.5 132.89 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.18 132.72 79.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -34.98 3.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -78.74 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 95.7 m-20 -99.54 113.37 64.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.77 21.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -88.13 -28.27 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.2 m-85 -98.97 -179.16 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 8.2 p90 -166.87 153.41 8.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.1 m-80 -80.37 152.62 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -93.82 140.72 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.795 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.64 -69.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -177.62 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.4 -22.24 30.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HE2' ' A' ' 64' ' ' PHE . 16.8 mt -73.62 -22.4 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.59 -65.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -39.24 -30.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.8 t -76.27 -67.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CG ' HD13 ' A' ' 69' ' ' LEU . 53.7 m-85 -79.58 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.14 9.75 17.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -117.27 164.98 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 12.8 pt-20 -71.93 -40.32 68.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.76 155.14 44.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.901 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -140.94 169.85 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 74' ' ' VAL . 24.1 mttt -87.86 157.28 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 m-85 -76.79 -10.27 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.3 p -105.8 -40.43 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.472 ' HB2' HD23 ' A' ' 69' ' ' LEU . 59.5 mmm -55.04 -37.09 66.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.0 t -40.4 -36.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 m -58.42 -51.2 70.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -89.77 31.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.1 mmtt -135.25 -48.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.701 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -71.62 -34.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.1 p -45.37 -47.8 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -50.51 -42.03 54.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 88.3 m-70 -71.85 -41.27 68.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 78' ' ' ILE . 66.5 mt -48.46 144.5 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.81 162.41 26.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.41 9.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.19 14.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.798 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -41.31 129.88 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.4 -147.23 19.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 75.38 3.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -75.85 -59.75 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.5 p -143.64 132.11 22.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.19 85.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 -58.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.64 -132.96 2.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.76 90.69 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -52.19 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.71 -88.17 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 13.3 p -148.62 141.22 15.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.05 178.77 6.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.43 -174.79 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -105.7 142.05 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 m-85 -121.64 122.02 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -50.55 145.84 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -94.73 155.72 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 169.89 13.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.8 m -58.55 -49.23 78.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.99 -46.56 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.0 tp -56.95 -35.77 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLY . 18.4 mtm -69.57 -36.56 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.45 -12.28 59.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.7 t -80.76 -41.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.9 mt -110.09 -61.53 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 118.94 34.62 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -112.18 -169.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -144.65 -45.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 t -136.62 100.11 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.8 tp10 -126.99 -177.33 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.522 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 67.8 p -92.7 -168.8 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.448 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.9 ttp180 -81.33 -45.24 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.5 mmp_? -52.26 -50.59 61.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' THR . 60.5 mt -62.25 -63.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 71.6 mt -39.42 -48.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.02 -49.08 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -46.16 -30.9 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.92 -37.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.5 m0 -59.55 -47.39 85.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -57.56 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.592 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 31.0 t80 -42.82 -57.99 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.0 t -41.07 -60.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -60.65 -32.91 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -52.43 -61.27 2.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.0 mpt_? -86.93 33.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.5 mptt 38.49 56.41 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' OD1' ' A' ' 57' ' ' ASP . 56.2 mt -93.57 -31.04 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -39.27 143.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -99.49 137.43 20.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -44.24 -48.49 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -132.85 123.59 18.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.94 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' PHE . 1.9 t -78.3 -35.55 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.0 m-85 -94.18 169.36 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 7.7 p90 -154.61 147.79 24.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -74.22 152.67 39.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.14 151.1 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.785 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -96.48 -49.49 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.11 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -92.54 -21.17 20.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HE2' ' A' ' 64' ' ' PHE . 13.7 mt -74.94 -25.65 59.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.58 -65.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -30.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.1 t -74.57 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.923 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.9 m-85 -84.29 -64.91 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.13 6.28 18.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -114.24 139.1 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.04 -40.23 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -141.33 161.82 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.923 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -147.43 163.79 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.7 mtpt -82.68 161.54 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.7 m-85 -83.07 -14.97 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 p -100.81 -34.38 9.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.467 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 65.9 mmm -64.29 -25.6 68.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 70' ' ' LYS . 72.6 t -49.74 -32.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -63.21 -48.05 79.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.81 30.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.1 mmtt -136.34 -47.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.868 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.9 pp -68.0 -33.09 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 p -44.88 -51.8 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -49.2 -35.49 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ILE . 99.5 m-70 -81.61 -34.85 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.577 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.868 HD11 ' CD1' ' A' ' 78' ' ' ILE . 42.5 mt -55.6 128.2 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -146.75 165.96 17.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.1 Cg_endo -75.03 141.06 26.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.3 Cg_endo -74.96 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.35 5.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.85 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 t 68.32 66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.31 82.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.09 4.63 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m 61.83 134.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 m -106.26 84.79 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -125.14 167.39 14.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -163.81 -58.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.9 114.03 3.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.26 129.88 46.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.83 150.01 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.78 -144.28 17.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 13.2 p -80.11 141.26 54.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.3 Cg_endo -75.01 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' HG2' ' CE1' ' A' ' 12' ' ' PHE . 6.7 tt0 -121.71 126.69 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 28' ' ' THR . 3.7 mttm -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 10' ' ' GLU . 25.8 m-85 -129.98 129.02 43.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -57.93 152.18 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -98.94 150.64 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.19 168.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.6 m -59.82 -39.78 86.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.66 -45.27 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 63' ' ' VAL . 7.8 tp -60.03 -27.49 66.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.5 mtm -77.74 -22.73 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -9.68 43.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 17' ' ' ALA . 54.4 t -85.76 -27.61 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.3 mt -124.14 -65.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.98 37.25 0.72 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.738 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -112.87 -169.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -143.28 -44.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -140.06 104.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.2 tp10 -126.14 -161.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 32' ' ' ILE . 40.5 p -112.16 -162.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.6 ttp180 -81.37 -44.76 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.08 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 89.0 mtt-85 -36.6 -46.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 28' ' ' THR . 54.2 mt -67.42 -63.73 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 89.6 mt -40.34 -44.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.75 -49.93 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -45.33 -27.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.7 mt -87.2 -39.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 30.2 m0 -59.09 -52.28 66.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.6 t80 -38.38 -57.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.8 t -41.33 -68.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -55.48 -36.63 66.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -59.82 -33.24 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' TYR . 13.3 mmp_? -104.14 16.88 25.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp 47.76 41.71 14.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.926 HD21 ' OD1' ' A' ' 57' ' ' ASP . 40.3 mt -85.11 -27.92 25.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -38.91 144.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -104.47 131.22 22.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -41.93 -33.43 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -153.06 117.61 2.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.93 21.55 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -81.03 -14.09 58.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -116.83 176.39 5.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.9 p90 -162.24 145.42 11.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.37 155.95 31.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -90.08 159.29 16.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.926 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.82 -48.71 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 162.44 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.32 -16.8 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -78.4 -21.96 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -69.31 -63.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLN . 3.2 mmmt -39.6 -30.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 81' ' ' HIS . 79.0 t -75.79 -68.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.745 ' CG ' HD13 ' A' ' 69' ' ' LEU . 37.0 m-85 -85.47 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 108.61 16.51 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.95 136.67 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -42.5 -45.62 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' CE ' ' CD1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -140.1 159.06 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.745 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -143.18 170.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mttt -87.39 145.4 26.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.55 -19.22 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -91.86 -46.76 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.607 ' HB2' HD23 ' A' ' 69' ' ' LEU . 61.6 mmm -48.14 -35.2 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.579 HG13 ' CG2' ' A' ' 78' ' ' ILE . 57.9 t -39.83 -61.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 91.7 p -38.1 -49.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.3 tt0 -69.97 -55.99 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.706 ' HE3' HD11 ' A' ' 69' ' ' LEU . 28.5 mmtt -50.73 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 82' ' ' LEU . 2.0 pp -40.25 -39.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -47.5 -48.8 27.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -54.63 -36.53 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.535 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.7 m-70 -80.22 -36.87 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 78' ' ' ILE . 12.7 mt -52.48 120.92 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 156.3 66.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.8 7.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.17 14.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.76 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 120.62 6.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.63 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.58 104.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.057 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.37 -173.53 42.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 t 59.7 91.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -131.33 138.73 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.977 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 161.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t 60.93 114.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.83 -178.88 24.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.91 128.76 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 154.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.09 101.58 2.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 m -53.93 154.54 7.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.97 7.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -115.09 -174.56 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HG2' HG22 ' A' ' 28' ' ' THR . 8.9 mttt -119.91 141.68 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.37 137.26 54.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 3.3 tttm -64.14 138.67 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -83.44 158.11 22.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -83.46 165.74 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -57.79 -36.85 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -81.62 -45.63 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -60.13 -38.21 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.84 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -3.47 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG22 ' HB1' ' A' ' 59' ' ' ALA . 55.5 t -89.89 -27.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 24' ' ' ILE . 1.4 mt -125.6 -57.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.53 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -116.42 -170.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.89 -43.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -155.8 101.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.42 166.79 11.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' HG2' ' A' ' 11' ' ' LYS . 10.3 p -71.57 157.71 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.599 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 ttm180 -52.4 -45.69 95.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 6.7 mmt180 -77.26 -56.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 49.6 mt -52.76 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 82.6 mt -41.77 -56.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -56.55 -50.55 71.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -42.8 -45.97 5.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.9 mt -71.21 -36.99 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 24.0 m0 -58.91 -52.33 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -65.24 -61.06 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -38.81 -54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.3 t -51.74 -56.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -51.82 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.459 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -92.05 14.64 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.69 38.66 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.722 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.8 mt -83.35 -25.08 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -40.41 146.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.43 129.71 31.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.22 -47.98 66.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -130.66 120.16 18.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -11.65 21.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.29 -28.65 27.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -101.37 172.47 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' HG11 ' A' ' 40' ' ' VAL . 19.7 p90 -156.35 156.09 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -75.3 140.74 43.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -107.29 108.89 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.665 ' OD1' HD21 ' A' ' 45' ' ' LEU . 16.0 m-20 -66.9 -174.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.3 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -75.07 -71.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.537 HD22 ' HE2' ' A' ' 64' ' ' PHE . 23.0 mt -41.69 -29.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.4 mt-30 -64.5 -63.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -28.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 18' ' ' LEU . 73.6 t -79.72 -69.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CG ' HD13 ' A' ' 69' ' ' LEU . 58.1 m-85 -75.55 -65.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.94 9.89 21.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -115.46 167.58 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.8 -38.12 62.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -146.38 162.03 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -149.19 164.1 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.755 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.6 mttt -83.35 148.45 27.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.53 -15.49 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.8 p -97.91 -39.12 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 69.0 mmm -62.0 -28.47 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' LYS . 39.7 t -40.24 -63.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.448 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 70.8 p -40.37 -53.91 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.61 -43.18 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HG3' HD21 ' A' ' 69' ' ' LEU . 29.0 mmtt -71.76 -70.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.828 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.5 pp -38.57 -32.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -45.24 -56.52 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.96 -30.91 16.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.59 ' CD2' HG13 ' A' ' 63' ' ' VAL . 89.3 m-70 -83.31 -30.76 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 78' ' ' ILE . 25.5 mt -60.4 111.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.7 m -123.06 161.08 46.73 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.31 16.61 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -60.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 p -147.11 -62.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.41 -159.64 29.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 84.67 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.4 m 45.31 89.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.27 132.68 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t 64.69 109.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 0.737 . . . . 0.0 110.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 p -50.29 155.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.61 -124.84 0.78 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m 58.93 166.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -140.02 132.6 28.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.38 -59.38 0.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -53.82 156.16 5.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.06 17.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 6.3 pt-20 -110.54 119.59 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -47.6 157.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CZ ' ' O ' ' A' ' 10' ' ' GLU . 21.7 m-85 -134.61 142.01 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.96 167.49 19.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.59 151.42 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 169.56 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -56.49 -45.1 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -70.5 -48.72 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.3 tp -57.84 -39.16 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mtp -65.74 -10.15 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -0.68 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG22 ' HB1' ' A' ' 59' ' ' ALA . 49.5 t -91.51 -43.59 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 35' ' ' ALA . 12.4 mt -113.63 -55.08 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.22 33.86 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.8 pt -120.54 158.42 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -109.91 -28.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -159.02 112.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -137.33 167.35 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 81.7 p -62.39 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -83.92 -43.99 0.78 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 9.7 mmp_? -36.37 -44.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 50.6 mt -68.35 -63.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 74.8 mt -45.0 -46.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.12 -49.47 69.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.718 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.34 -37.94 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.6 mt -78.53 -32.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.0 m0 -61.94 -48.12 81.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -69.84 -45.94 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.636 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.3 t80 -52.15 -55.71 19.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.2 t -40.08 -59.1 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -47.77 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 10.7 mpt_? -86.27 32.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER 38.49 40.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 HD12 ' A' ' 60' ' ' LEU . 30.0 mt -76.65 -28.79 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -41.84 147.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.33 131.8 25.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.64 -58.72 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 119.33 40.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.29 20.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t -86.58 -16.22 37.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -109.81 179.81 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.2 p90 -168.41 156.48 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -76.45 136.1 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.1 m -102.05 105.58 16.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m-20 -57.32 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.65 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -69.76 -68.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 45' ' ' LEU . 77.5 mt -40.29 -34.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -61.37 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.26 -30.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.623 ' CG1' HD13 ' A' ' 18' ' ' LEU . 85.2 t -77.8 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CG ' HD13 ' A' ' 69' ' ' LEU . 72.7 m-85 -76.85 -67.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.12 -1.09 22.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.89 137.72 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -46.98 -44.4 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -134.94 156.76 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.812 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.03 168.15 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.761 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.6 mttt -88.6 151.77 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 m-85 -72.86 -17.33 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -97.03 -41.14 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 76.9 mmm -57.99 -32.06 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 70' ' ' LYS . 55.7 t -41.76 -28.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 73' ' ' MET . 8.9 m -67.73 -51.61 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' MET . 17.9 pt20 -89.27 34.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.71 ' CE ' HD21 ' A' ' 69' ' ' LEU . 6.6 mmtt -136.03 -54.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -63.29 -26.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 82' ' ' LEU . 94.7 p -49.58 -49.57 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -49.48 -29.24 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 86.3 m-70 -88.61 -35.56 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -51.8 129.78 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -130.59 159.13 72.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.16 8.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 60.01 90.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.57 -86.16 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 82.48 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.75 84.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.37 81.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -173.33 -59.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -140.9 149.98 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.604 ' HA2' HG21 ' A' ' 8' ' ' VAL . . . -175.16 160.1 28.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.15 -59.98 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.766 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 t -149.41 -70.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.77 -72.68 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.604 HG21 ' HA2' ' A' ' 4' ' ' GLY . 15.0 m -43.34 157.23 0.26 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.65 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.23 59.63 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 6.9 mttp 53.73 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 50.3 m-85 -162.83 144.56 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -76.78 149.35 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -100.16 153.11 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 m -82.43 169.58 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 m -57.98 -40.0 79.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.84 -46.55 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 63' ' ' VAL . 5.7 tp -60.9 -30.98 70.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtp -72.01 -23.34 61.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.67 -1.4 40.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' ALA . 50.7 t -91.2 -36.63 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.4 mt -119.06 -57.57 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.8 33.26 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 14' ' ' LEU . 1.3 pt -116.92 164.35 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.83 -39.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.79 100.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 2.4 tp10 -124.21 -159.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 32' ' ' ILE . 79.5 p -111.38 -165.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.25 -44.9 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CB ' ' HG3' ' A' ' 27' ' ' GLU . 1.3 mmp_? -41.47 -51.97 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 28' ' ' THR . 57.8 mt -60.86 -63.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 87.7 mt -40.67 -50.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.35 -50.71 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.72 -34.21 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.1 mt -82.92 -37.26 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.1 m0 -59.15 -54.19 49.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.495 ' ND1' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -60.6 -67.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 43' ' ' ARG . 36.2 t80 -37.96 -56.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.3 t -43.51 -64.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -56.86 -49.07 76.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.495 ' HB2' ' ND1' ' A' ' 38' ' ' HIS . . . -52.9 -25.66 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 3.7 mmm180 -104.07 21.85 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 44.77 37.37 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 57' ' ' ASP . 24.7 mt -83.76 -31.52 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -38.82 141.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.46 131.05 39.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -74.94 -60.67 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.09 114.74 63.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.85 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -82.53 -15.67 51.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -111.81 173.24 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 11.0 p90 -156.14 146.94 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 m-80 -77.09 154.68 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.2 p -89.56 152.41 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 1.8 m-20 -95.91 -50.89 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.19 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.9 -24.94 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.7 mt -70.24 -20.48 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.44 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -39.83 -30.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 21' ' ' VAL . 77.0 t -72.9 -64.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.7 ' CG ' HD13 ' A' ' 69' ' ' LEU . 26.4 m-85 -92.86 -63.39 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.78 1.25 25.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.54 150.03 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -55.73 -44.66 77.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.9 159.42 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.7 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.35 169.57 17.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 15.5 mttt -85.45 146.59 26.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 21.0 m-85 -70.74 -10.49 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -101.43 -45.64 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.479 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 53.5 mmm -50.22 -33.28 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 78' ' ' ILE . 45.2 t -42.07 -59.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 33' ' ' ILE . 2.5 t -38.49 -34.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' MET . 2.0 tt0 -85.37 -55.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.698 ' HE3' HD11 ' A' ' 69' ' ' LEU . 24.3 mmtt -51.22 -52.42 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.796 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -55.14 -38.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -50.85 -43.36 59.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -17.95 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -99.08 -36.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 78' ' ' ILE . 19.5 mt -54.89 125.56 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 75.8 m -128.55 155.93 78.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.23 7.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.43 14.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.0 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.56 132.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.35 -109.23 0.95 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.07 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t 58.25 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.43 162.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.6 84.48 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -154.17 115.0 4.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.49 -139.34 10.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.92 113.45 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 110.031 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -91.81 88.73 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.89 -120.57 7.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -56.97 155.02 16.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.29 16.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' HG2' ' CE2' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -114.79 122.81 47.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 2.9 mtpt -93.84 151.18 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 10' ' ' GLU . 5.1 m-85 -133.5 135.06 44.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 8.0 tttt -66.33 131.37 45.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 24' ' ' ILE . 3.5 mp -75.22 168.56 19.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 169.33 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -58.92 -30.43 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -88.29 -44.42 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 HG21 ' A' ' 63' ' ' VAL . 3.4 tp -62.62 -34.3 76.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG3' ' CB ' ' A' ' 14' ' ' LEU . 10.3 mtp -66.46 -18.21 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.1 -20.29 13.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.1 t -71.55 -31.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.763 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -119.86 -60.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.63 0.88 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -120.06 174.56 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 7.3 tp10 -117.55 -35.49 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -166.24 104.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -117.85 166.69 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 16.0 p -71.04 156.34 39.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.7 ttm180 -50.94 -46.08 87.7 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -12.2 21.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.535 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 8.2 mmp_? -92.89 -52.6 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 53.5 mt -55.24 -57.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 62.1 mt -48.68 -58.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -51.22 -49.9 60.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.763 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.84 -32.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 40' ' ' VAL . 59.7 mt -82.89 -38.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ALA . 27.0 m0 -60.99 -49.91 75.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -55.8 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.691 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.7 t80 -48.64 -55.33 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -42.11 -52.35 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -36.84 85.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -44.84 -60.19 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 3.2 mpt_? -86.75 22.13 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 46.14 50.62 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' HG13 ' A' ' 40' ' ' VAL . 37.4 mt -84.92 -18.22 35.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -47.92 139.32 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 125.96 57.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.52 9.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -73.99 -55.38 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.42 114.31 45.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.61 20.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -18.25 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.6 m-85 -110.03 177.73 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 35.4 p90 -159.0 148.05 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -65.73 157.71 29.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.7 p -103.96 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.868 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -130.62 -174.08 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.53 1.54 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -116.03 -44.55 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.7 mt -66.92 -29.11 68.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.3 mt-30 -64.48 -56.76 12.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -28.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG13 ' NE2' ' A' ' 81' ' ' HIS . 77.0 t -79.14 -69.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.75 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -82.93 -63.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 103.67 8.84 39.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -106.32 149.85 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.51 -43.23 68.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -150.61 158.79 44.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.92 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.5 mttt -87.42 137.83 32.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 12.8 m-85 -58.79 -16.71 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 p -95.23 -46.08 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 46.0 mmm -50.18 -35.66 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 78' ' ' ILE . 53.7 t -39.29 -63.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 18.7 t -37.01 -44.14 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.82 -47.44 53.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 69' ' ' LEU . 15.1 mmtt -63.96 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.825 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -39.85 -39.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.62 -52.01 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -44.63 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.683 ' NE2' HG13 ' A' ' 63' ' ' VAL . 97.4 m-70 -70.67 -33.06 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.825 HD11 ' CD1' ' A' ' 78' ' ' ILE . 15.5 mt -58.81 116.54 3.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -129.56 162.84 50.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.19 7.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.8 15.66 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -135.42 -67.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.92 118.32 12.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 152.61 40.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.77 159.91 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.9 p -74.14 162.41 29.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -54.31 130.61 39.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.55 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.17 -131.82 1.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.3 170.32 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -69.62 158.54 35.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.64 -136.59 13.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -123.67 144.74 45.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.783 ' HD2' HG12 ' A' ' 8' ' ' VAL . 18.3 Cg_endo -75.06 -168.31 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 3.4 tt0 -138.76 124.0 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -88.47 138.36 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 10' ' ' GLU . 35.3 m-85 -119.34 122.63 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -47.97 146.09 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -97.15 146.09 25.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 167.13 19.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -60.19 -36.43 77.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.79 -44.88 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 63' ' ' VAL . 4.5 tp -61.17 -26.24 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.4 mtm -77.68 -40.19 42.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.92 -17.41 61.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.6 t -72.0 -49.75 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 24' ' ' ILE . 6.1 mt -102.8 -61.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.3 35.92 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.527 HD12 ' HB2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -112.71 -172.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -44.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.94 91.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -116.17 162.23 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' ARG . 22.5 p -80.93 -173.45 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.4 ttm180 -81.66 -45.48 1.08 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -9.1 20.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.0 mtt180 -87.73 -52.51 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 42.7 mt -57.68 -62.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 72.5 mt -39.78 -54.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -61.04 -50.91 71.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.53 -42.53 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 40' ' ' VAL . 81.8 mt -74.13 -38.51 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 21.8 m0 -56.42 -35.44 67.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 9.0 t-80 -80.37 -61.12 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -39.69 -40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 36' ' ' ILE . 50.1 t -60.73 -65.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -55.57 -42.7 75.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.43 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -57.1 -47.46 81.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -83.83 6.48 21.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.33 51.76 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' HG13 ' A' ' 40' ' ' VAL . 83.0 mt -98.3 -27.44 14.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -41.46 133.23 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.0 128.59 78.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.58 20.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.52 -52.6 4.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -112.27 114.09 51.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.2 21.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -87.82 -20.71 25.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.1 m-85 -109.36 177.61 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 16.9 p90 -159.27 147.17 17.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.1 157.47 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.8 p -105.63 160.51 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 108.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD2' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -124.98 -174.02 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.5 1.96 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . . . -110.71 -51.03 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' OD1' ' A' ' 57' ' ' ASP . 29.8 mt -62.19 -36.06 80.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.04 -52.07 66.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.32 -29.45 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 18' ' ' LEU . 54.3 t -82.2 -72.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CG ' HD13 ' A' ' 69' ' ' LEU . 56.5 m-85 -76.61 -64.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 66' ' ' GLU . . . 103.49 7.3 42.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 66' ' ' GLU . 2.2 mp0 -105.13 146.76 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.88 -43.5 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -150.36 158.13 43.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -139.8 168.77 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 11.8 mttt -86.78 145.15 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 20.3 m-85 -66.3 -14.33 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -98.39 -45.83 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 35.7 mmm -51.23 -32.13 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 78' ' ' ILE . 55.0 t -39.08 -58.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 86.2 p -43.64 -46.55 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.9 tt0 -66.22 -55.68 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.662 ' HG3' HD21 ' A' ' 69' ' ' LEU . 39.6 mmtt -57.68 -68.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.1 pp -38.45 -33.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -49.44 -50.72 39.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -54.62 -20.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.613 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.9 m-70 -95.43 -37.47 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 78' ' ' ILE . 46.9 mt -54.58 114.78 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -134.11 164.48 43.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.01 140.37 25.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.2 Cg_endo -75.06 173.6 14.24 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.798 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.0 3.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -112.5 93.06 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.13 155.58 22.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 73.83 4.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.5 p -155.81 153.06 29.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.6 t -169.4 -58.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.087 . . . . 0.0 111.032 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -170.96 147.04 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -135.31 -56.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.69 130.03 8.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -161.48 133.07 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -101.25 -55.36 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.31 158.36 47.51 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -53.25 155.23 4.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -75.02 161.46 38.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 25.8 tt0 -38.27 115.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB3' HG12 ' A' ' 26' ' ' VAL . 2.7 mtpt -85.61 154.35 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 10' ' ' GLU . 8.0 m-85 -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.59 167.01 9.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.66 156.69 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -86.4 160.96 18.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -35.25 61.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.0 -47.03 15.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD23 HD23 ' A' ' 14' ' ' LEU . 9.4 tp -58.68 -36.51 74.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.67 -34.25 76.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.28 0.55 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 17' ' ' ALA . 23.7 t -98.49 -56.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -95.53 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.99 1.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 14' ' ' LEU . 1.1 pt -117.49 162.19 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' HG23 ' A' ' 26' ' ' VAL . 15.0 pt-20 -112.64 -42.91 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 13' ' ' LYS . 16.3 t -140.65 108.16 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.1 tp10 -131.09 171.74 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 71.9 p -74.22 -164.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.4 ttp180 -83.51 -45.21 0.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -56.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.5 mmp_? -35.68 -41.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 28' ' ' THR . 56.4 mt -70.29 -61.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 66.4 mt -45.45 -48.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.01 -49.03 74.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.37 -36.52 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.602 HG13 HD21 ' A' ' 22' ' ' LEU . 80.5 mt -80.55 -32.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 28.0 m0 -62.83 -57.15 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -59.5 -63.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.636 179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -38.75 -54.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.2 t -52.18 -50.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -51.28 67.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.494 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -51.93 -35.54 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.45 19.47 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.98 34.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.603 HD11 ' CG ' ' A' ' 57' ' ' ASP . 16.3 mt -77.62 -29.6 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . 53.2 tt0 -38.66 141.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -96.87 134.66 22.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.543 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -51.98 -48.12 64.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -127.58 118.41 21.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.63 20.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -85.55 -17.07 37.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 2.2 m-85 -109.57 166.83 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.1 p90 -151.91 145.72 25.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 m120 -77.27 155.15 32.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.59 156.79 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -100.71 -51.19 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.55 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.12 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 64' ' ' PHE . 17.2 mt -71.57 -23.02 61.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.07 -64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' GLN . 2.8 mtpp -39.6 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 81' ' ' HIS . 77.1 t -75.8 -65.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.675 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -89.54 -64.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.65 -4.79 26.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.61 144.44 28.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.55 -44.6 62.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -138.15 163.07 32.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.888 HD21 ' HE2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -149.29 167.65 25.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.698 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.2 mttt -86.75 151.66 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 16.7 m-85 -72.67 -20.05 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -93.68 -44.87 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 45.3 mmm -52.6 -35.42 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 70' ' ' LYS . 42.7 t -40.17 -55.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 47.3 t -37.45 -41.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.6 tt0 -75.42 -60.14 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.888 ' HE2' HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.4 pp -47.1 -39.32 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -46.88 -47.6 21.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -57.6 -28.94 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 63' ' ' VAL . 95.1 m-70 -87.31 -37.38 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 78' ' ' ILE . 13.4 mt -53.76 119.48 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 160.06 70.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.49 7.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.42 14.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.47 42.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -109.31 -57.56 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.97 170.83 30.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.9 p -77.57 82.31 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.5 p -132.41 142.44 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -94.83 147.73 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.32 156.52 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.81 104.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.3 -61.01 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.68 168.69 46.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.492 HG21 ' CE ' ' A' ' 11' ' ' LYS . 25.3 m -55.57 155.39 10.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -75.06 147.35 33.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' PRO . 25.8 tt0 -38.33 117.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CE ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -106.69 -173.07 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CG ' ' HB3' ' A' ' 82' ' ' LEU . 6.6 m-85 -152.88 145.76 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' SER . 12.0 ttmt -74.87 149.18 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 ' CD2' HD12 ' A' ' 22' ' ' LEU . 3.0 mp -96.89 143.06 28.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' MET . 10.4 m -74.43 170.42 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 m -58.64 -26.76 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.89 -46.73 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 63' ' ' VAL . 3.8 tp -67.34 -22.46 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' SER . 7.9 mtm -77.46 -8.69 58.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 -2.18 13.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HB1' ' A' ' 59' ' ' ALA . 8.2 t -93.22 -24.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD12 ' CD2' ' A' ' 14' ' ' LEU . 4.4 mt -126.71 -56.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.96 10.3 8.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.816 HD12 ' HB2' ' A' ' 27' ' ' GLU . 3.6 pt -103.77 154.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -101.1 -24.2 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -167.38 122.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -141.18 161.45 37.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 32' ' ' ILE . 69.1 p -55.48 -164.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.631 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 ttp180 -84.09 -44.04 0.76 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 27' ' ' GLU . 89.4 mtt-85 -42.3 -52.04 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 28' ' ' THR . 53.5 mt -60.12 -66.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 91.7 mt -40.99 -49.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.49 -48.04 76.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.4 mt -86.11 -36.86 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.6 m0 -62.03 -49.71 74.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.29 -57.48 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 45.6 t80 -46.92 -57.6 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.6 t -45.55 -64.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -51.77 -53.75 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -28.26 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 57' ' ' ASP . 8.0 mmm180 -101.99 21.45 14.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt 42.49 33.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.965 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.3 mt -81.46 -16.02 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -51.87 149.95 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -102.29 127.32 30.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.372 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.95 4.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -69.72 -59.31 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.5 114.94 52.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.39 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -86.03 -12.37 50.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -112.2 176.91 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 51.5 p90 -160.92 154.16 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -76.92 137.54 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 m -100.43 117.38 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.965 ' OD1' HD21 ' A' ' 45' ' ' LEU . 27.3 m-20 -71.34 -175.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -30.69 70.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -79.17 -59.75 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.9 mt -47.66 -25.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.25 -66.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -39.97 -29.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' A' ' 81' ' ' HIS . 72.0 t -75.14 -68.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.588 ' CG ' HD13 ' A' ' 69' ' ' LEU . 49.3 m-85 -80.8 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.02 8.96 25.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.34 159.83 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.58 -48.46 79.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 2.8 pttm -138.53 163.61 31.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.588 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -147.34 165.35 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.6 mttt -85.13 133.38 34.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 10.5 m-85 -55.46 -20.07 11.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -90.87 -47.01 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.491 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 74.3 mmm -56.89 -23.27 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 11.5 t -39.71 -57.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 2.8 t -47.86 -54.78 11.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.95 -18.98 15.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.551 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.5 mmtt -95.08 -72.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.891 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.7 pp -38.78 -41.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.473 ' N ' HD12 ' A' ' 78' ' ' ILE . 39.4 m -45.25 -47.69 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 5.2 t-80 -51.82 -32.96 33.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.626 ' CD2' HG13 ' A' ' 63' ' ' VAL . 93.6 m-70 -87.4 -36.91 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.663 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 78' ' ' ILE . 44.6 mt -48.03 119.38 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.2 m -131.04 163.6 48.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.64 8.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.96 15.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.33 104.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.84 -144.33 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.19 23.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 t -45.34 113.82 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -62.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -101.64 98.12 8.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.34 84.32 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.0 87.31 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 t -174.09 156.03 2.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.63 85.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.33 -63.35 0.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -123.44 144.6 44.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.367 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.782 ' HD2' HG12 ' A' ' 8' ' ' VAL . 18.3 Cg_endo -74.98 178.87 6.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pt-20 -110.74 120.61 42.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -72.2 163.33 28.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 10' ' ' GLU . 61.4 m-85 -138.14 133.09 32.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 2.5 mttm -60.61 169.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 158.75 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.9 p -85.46 168.57 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.07 71.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.998 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -82.03 -46.19 14.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' VAL . 4.3 tp -62.84 -26.68 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' SER . 21.8 mtp -74.58 -32.09 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.56 0.19 57.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.4 t -92.84 -50.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' HB1' ' A' ' 35' ' ' ALA . 8.1 mt -102.51 -56.25 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.24 1.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.3 pt -124.47 156.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.596 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -107.78 -25.73 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.596 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -162.42 111.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.695 ' HB2' HD12 ' A' ' 24' ' ' ILE . 3.0 tp10 -134.08 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 55.8 p -58.51 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.636 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -82.99 -43.72 0.87 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.96 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 3.6 mmt180 -36.18 -44.72 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 54.3 mt -67.51 -64.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 64.6 mt -41.09 -43.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.43 -48.79 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.41 -30.76 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.81 -37.07 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 32.9 m0 -60.67 -42.28 96.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.84 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.586 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -41.24 -47.92 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.2 t -55.5 -63.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -52.83 -46.93 67.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.89 70.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.32 10.42 22.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.49 31.27 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' OD1' ' A' ' 57' ' ' ASP . 48.0 mt -78.99 -29.31 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -39.77 142.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.18 135.33 22.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -49.55 -60.33 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 53' ' ' PHE . 20.2 t70 -116.88 118.74 36.11 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.35 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -80.65 -14.91 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.3 m-85 -112.6 177.66 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 11.0 p90 -160.31 151.18 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 68.2 m-80 -69.43 151.97 45.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.8 p -92.51 175.87 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 108.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.77 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.26 -177.27 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.14 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -113.49 -37.93 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.77 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.3 mt -73.83 -36.58 64.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.61 -53.75 54.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -46.56 -25.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.648 HG13 ' NE2' ' A' ' 81' ' ' HIS . 69.5 t -89.33 -71.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.62 ' CG ' HD13 ' A' ' 69' ' ' LEU . 44.7 m-85 -72.65 -65.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.05 16.37 21.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -116.53 163.01 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -66.88 -40.93 87.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -150.13 160.41 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -144.47 165.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 74' ' ' VAL . 8.5 mtpt -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.67 -17.77 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 p -96.1 -37.61 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.479 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 51.1 mmm -64.75 -22.61 67.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 70' ' ' LYS . 23.3 t -42.8 -40.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -41.87 79.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -68.61 -6.9 28.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.7 mmtt -113.26 -70.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.4 pp -39.98 -34.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.463 ' HA ' HD12 ' A' ' 82' ' ' LEU . 27.6 p -45.16 -55.04 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -30.36 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.648 ' NE2' HG13 ' A' ' 63' ' ' VAL . 99.0 m-70 -86.13 -35.64 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 78' ' ' ILE . 69.1 mt -54.02 109.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -113.7 161.9 25.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.91 7.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.47 14.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.98 9.19 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.17 133.29 47.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.97 112.67 3.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.98 4.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.18 130.86 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -65.57 126.33 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -151.35 -58.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 p -99.55 162.83 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.9 -167.92 15.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.76 80.6 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -61.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.17 -159.65 26.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 12.1 p -127.59 141.35 40.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.06 165.88 30.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -113.56 -174.58 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB3' HG12 ' A' ' 26' ' ' VAL . 20.6 mttp -125.81 160.22 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -142.47 151.43 41.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.55 152.34 37.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -98.74 157.62 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 171.3 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.57 -40.02 92.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -78.82 -46.06 19.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' CG1' ' A' ' 63' ' ' VAL . 11.4 tp -57.7 -38.5 75.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 9.9 mtp -60.84 -43.67 97.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.16 -19.07 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 17' ' ' ALA . 39.5 t -68.74 -39.11 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -114.09 -60.34 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.18 33.38 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -113.56 -169.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -141.93 -44.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 11' ' ' LYS . 6.7 t -146.53 110.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.7 mt-10 -131.54 151.33 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 31' ' ' ARG . 7.3 p -62.7 157.85 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -47.35 -47.96 57.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.98 -31.55 6.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.54 1.81 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' N ' ' A' ' 28' ' ' THR . 6.0 mmt85 -65.87 -63.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 48.4 mt -37.49 -66.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 29' ' ' ARG . 25.3 mt -39.86 -61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -44.86 -48.97 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' C ' HD22 ' A' ' 22' ' ' LEU . . . -46.76 -35.37 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.725 HG12 HD21 ' A' ' 22' ' ' LEU . 89.7 mt -78.18 -35.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' NE1' HG22 ' A' ' 33' ' ' ILE . 33.7 m0 -61.14 -60.11 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -51.45 -52.48 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 46.5 t80 -51.77 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG13 ' HB2' ' A' ' 45' ' ' LEU . 70.7 t -49.52 -40.35 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -48.41 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.99 74.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -69.43 -6.88 33.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' GLN . 1.4 mmmp? 71.67 6.9 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.79 HD21 ' OD1' ' A' ' 57' ' ' ASP . 13.4 mt -47.79 -24.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LYS . 63.9 tt0 -40.72 138.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.7 140.31 31.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.79 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -68.58 -70.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 120.47 58.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.34 20.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -83.0 -35.86 25.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 68' ' ' LYS . 1.9 m-85 -85.88 178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 28.7 p90 -168.72 151.1 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' O ' HD13 ' A' ' 45' ' ' LEU . 12.2 m120 -84.59 154.75 22.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.6 p -86.69 142.53 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.79 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.95 -51.39 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.46 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 -23.04 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' CD1' ' A' ' 45' ' ' LEU . 16.0 mt -70.02 -21.4 63.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -65.16 -66.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.662 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.9 t -75.03 -66.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.588 ' HE2' HD22 ' A' ' 60' ' ' LEU . 55.3 m-85 -86.89 -65.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 111.2 11.26 18.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.42 143.3 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mm-40 -47.5 -47.55 27.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -133.5 -177.78 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -168.46 170.38 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.0 mttt -92.83 143.81 25.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' SER . 5.4 m-85 -65.65 -19.36 65.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 p -91.72 -45.53 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 71.0 mmm -54.13 -27.32 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 78' ' ' ILE . 36.8 t -45.86 -26.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -71.48 -44.1 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 73' ' ' MET . 1.1 pt20 -90.44 26.84 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.859 ' HE3' HD21 ' A' ' 69' ' ' LEU . 18.8 mmtt -134.97 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -64.67 -34.87 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 82' ' ' LEU . 84.5 p -45.11 -56.14 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -27.38 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.3 m-70 -89.11 -33.71 16.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' A' ' 78' ' ' ILE . 86.8 mt -53.22 145.44 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.65 160.61 46.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 124.45 8.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 173.21 14.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.41 5.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.63 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.95 104.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.92 94.52 2.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.15 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.3 p -160.46 89.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.7 m -111.55 -58.75 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -157.59 -57.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.05 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -48.33 119.35 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.89 95.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -137.99 130.92 29.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.025 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -115.65 124.79 51.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.9 -74.18 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -51.38 156.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 154.07 42.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.37 130.75 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' HG22 ' A' ' 28' ' ' THR . 7.1 mttm -77.95 151.79 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 82' ' ' LEU . 59.9 m-85 -125.14 134.27 52.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -70.91 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 24' ' ' ILE . 2.8 mp -72.32 166.51 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -95.04 178.07 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -64.04 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.6 -46.11 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 63' ' ' VAL . 3.1 tp -58.06 -46.93 84.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mtp -58.13 -15.23 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.5 -0.94 29.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.2 t -93.27 -54.05 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 35' ' ' ALA . 16.7 mt -100.04 -57.11 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.46 34.99 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.912 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.3 pt -119.55 158.86 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.774 ' HG3' HG12 ' A' ' 26' ' ' VAL . 2.0 pt-20 -98.43 -35.84 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -160.88 109.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.912 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.4 tp10 -121.4 179.04 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 67.2 p -81.1 -163.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.08 -43.6 0.76 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.05 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 88.4 mtt-85 -35.75 -45.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' THR . 41.1 mt -68.54 -63.37 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 58.4 mt -42.91 -47.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.89 -50.8 38.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -46.07 -28.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.36 -38.29 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -57.2 -40.19 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 107.95 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -76.69 -48.64 18.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.756 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.0 t80 -52.04 -55.57 19.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.32 -58.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.3 -34.33 72.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -50.75 -61.21 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.8 mpt_? -86.73 32.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.6 mmtt 39.47 46.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.955 HD11 ' OD2' ' A' ' 57' ' ' ASP . 40.0 mt -83.65 -35.11 24.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -39.75 143.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -97.41 133.8 23.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -49.89 -48.52 51.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -125.35 120.36 24.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.21 20.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -82.02 -37.26 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -92.23 172.75 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 13.3 p90 -158.94 152.4 22.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.84 151.06 47.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.8 p -91.96 -176.03 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.955 ' OD2' HD11 ' A' ' 45' ' ' LEU . 1.5 m-20 -145.32 -171.22 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.87 -9.94 59.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.0 -35.6 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 45' ' ' LEU . 13.3 mt -70.32 -28.66 65.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -67.73 -62.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.97 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' CD2' ' A' ' 81' ' ' HIS . 84.7 t -79.45 -67.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HE2' HD22 ' A' ' 60' ' ' LEU . 64.3 m-85 -83.36 -65.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 104.99 6.73 39.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' A' ' 66' ' ' GLU . 2.0 mp0 -108.85 134.14 51.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 15.1 pt-20 -40.3 -44.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -145.12 160.8 40.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -144.68 165.25 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.0 mttt -84.12 157.36 21.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 52' ' ' SER . 8.0 m-85 -77.14 -14.76 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -100.55 -36.12 9.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.546 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.7 mmm -62.03 -28.59 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.7 t -44.68 -30.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 p -67.86 -46.82 70.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' MET . 16.9 pt20 -90.24 29.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.647 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -135.93 -52.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.27 -31.03 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.7 p -47.33 -31.54 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -40.45 93.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.825 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.5 m-70 -74.86 -34.4 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 78' ' ' ILE . 28.3 mt -53.77 121.34 7.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -125.99 164.1 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.77 5.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 172.04 17.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 83.22 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.95 177.29 40.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 86.05 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.87 148.21 28.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.38 109.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -59.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.31 112.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.21 133.88 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -45.14 140.24 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.81 88.54 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.25 -111.91 4.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 12.1 p -142.33 141.37 20.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.0 159.72 41.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 pt-20 -107.0 119.58 39.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -40.1 152.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 10' ' ' GLU . 11.6 m-85 -134.73 130.68 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CE ' ' HD3' ' A' ' 86' ' ' PRO . 10.7 mttm -59.81 174.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -125.74 159.2 32.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -104.49 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -39.08 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.837 ' HB1' ' HG3' ' A' ' 62' ' ' LYS . . . -73.84 -53.4 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -69.14 -28.8 66.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -64.55 -47.31 79.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.42 -26.74 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.8 t -69.79 -59.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -96.61 -68.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 124.81 35.19 0.65 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.711 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.5 pt -121.19 156.31 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -100.47 -34.66 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.519 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -156.47 117.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.711 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.8 tp10 -135.75 171.66 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 52.5 p -69.69 -169.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.1 ttp180 -82.58 -44.72 0.94 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -41.62 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.7 mmp_? -50.12 -49.82 50.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' THR . 50.8 mt -64.8 -65.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 94.8 mt -40.81 -45.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.94 -48.01 64.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -48.0 -26.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.79 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -88.56 -34.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.7 m0 -63.9 -52.36 60.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -63.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.794 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.3 t80 -39.63 -57.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 36' ' ' ILE . 32.2 t -41.43 -62.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -56.25 -33.2 65.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -53.21 -61.42 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.3 mpt_? -79.97 6.6 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.2 31.74 20.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD21 ' OD1' ' A' ' 57' ' ' ASP . 62.3 mt -69.67 -17.5 63.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -49.34 146.56 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.36 135.23 21.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -46.56 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -58.04 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.46 118.52 39.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.97 19.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' PHE . 67.5 m -86.27 -15.66 40.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -109.23 176.26 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 18.9 p90 -165.18 156.16 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.02 138.83 41.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.9 m -97.11 114.69 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.83 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.98 55.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -85.85 -59.62 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.562 HD12 HD13 ' A' ' 45' ' ' LEU . 23.7 mt -45.42 -26.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' ALA . 10.9 mt-30 -71.46 -48.53 48.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -53.61 -22.67 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.92 HG13 ' CD2' ' A' ' 81' ' ' HIS . 78.7 t -89.3 -70.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.624 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.3 m-85 -74.59 -65.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.37 -2.53 32.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.62 143.64 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -50.94 -42.01 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -139.83 168.03 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -156.28 165.65 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.7 mtpt -87.67 156.32 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' SER . 15.7 m-85 -76.87 -12.2 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -102.82 -36.79 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.5 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.1 mmm -61.71 -24.36 66.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 70' ' ' LYS . 54.7 t -47.69 -34.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t -65.88 -43.07 89.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.41 25.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.6 mmtt -135.69 -46.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.664 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -72.11 -29.04 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -47.24 -25.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -40.48 73.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.92 ' CD2' HG13 ' A' ' 63' ' ' VAL . 91.3 m-70 -75.84 -28.31 58.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 78' ' ' ILE . 26.6 mt -61.81 126.05 25.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -130.97 161.06 63.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.438 ' HD3' ' CE ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.02 120.69 6.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.66 67.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.54 98.34 0.56 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 154.13 42.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.39 166.07 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -161.08 170.64 20.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t 61.03 98.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 0.734 . . . . 0.0 110.053 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t 54.37 84.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.05 -77.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.088 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.94 162.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m 57.54 102.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 -61.14 2.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 m -52.56 154.37 4.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.2 40.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 122.74 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.69 154.31 42.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD2' HD13 ' A' ' 82' ' ' LEU . 28.9 m-85 -125.39 142.45 51.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.09 174.66 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -124.72 146.85 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 170.97 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -58.7 -42.55 88.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -74.94 -47.4 29.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 14' ' ' LEU . 6.9 tp -53.55 -33.37 54.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.11 73.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 4.2 42.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 63' ' ' VAL . 47.3 t -96.8 -34.99 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.1 mt -127.8 -57.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 31.63 1.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -115.55 158.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 26' ' ' VAL . 13.9 pt-20 -109.0 -43.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' A' ' 13' ' ' LYS . 15.3 t -139.13 110.78 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.5 tp10 -133.84 177.5 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 80.6 p -86.31 -168.29 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -80.63 -43.73 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -51.03 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -42.13 -45.08 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 28' ' ' THR . 32.8 mt -70.43 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 34.0 mt -41.62 -42.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -71.71 -52.34 18.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -43.78 -32.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.9 mt -80.57 -42.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.1 m0 -51.85 -56.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' TYR . 15.8 t-80 -61.57 -65.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' HIS . 50.8 t80 -36.25 -51.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' ILE . 73.6 t -52.7 -58.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.02 -49.06 79.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.95 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' HA ' ' CZ ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.14 24.36 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' LYS . 5.0 mttt 39.87 45.24 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD11 ' OD1' ' A' ' 57' ' ' ASP . 33.0 mt -88.52 -27.06 21.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -41.75 130.07 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -85.39 134.26 40.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -42.63 -41.87 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.32 126.45 8.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -48.9 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 7.2 m-85 -92.13 161.04 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CG ' HG11 ' A' ' 40' ' ' VAL . 7.5 p90 -145.47 146.85 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' O ' HD22 ' A' ' 45' ' ' LEU . 8.8 m-80 -64.0 155.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.8 p -92.83 132.49 36.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -73.28 -55.33 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.7 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.05 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' HE2' ' A' ' 64' ' ' PHE . 11.0 mt -77.76 -18.95 55.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -72.59 -65.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 21' ' ' VAL . 87.0 t -78.09 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.951 ' CG ' HD13 ' A' ' 69' ' ' LEU . 36.4 m-85 -91.25 -66.42 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 106.35 19.22 10.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLU . 2.4 mt-10 -120.09 134.01 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . 14.5 pt-20 -38.74 -44.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.1 pttm -145.26 153.64 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.951 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -133.79 160.99 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 mtpt -81.65 167.63 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.5 m-85 -96.41 -3.6 43.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.3 p -116.09 -30.55 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.597 ' SD ' HD21 ' A' ' 69' ' ' LEU . 2.4 ppp? -83.85 12.47 6.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 38.9 t -75.77 -35.48 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -23.7 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 73' ' ' MET . 4.4 pt20 -95.77 19.78 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HE3' HD11 ' A' ' 69' ' ' LEU . 10.0 mmtt -136.66 -55.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.926 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.3 pp -58.17 -37.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 p -38.68 -61.13 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -41.15 -46.22 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' HB3' HD22 ' A' ' 18' ' ' LEU . 98.6 m-70 -67.09 -42.95 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.8 mt -52.42 115.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -130.11 158.12 75.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.02 15.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.35 41.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.74 41.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.5 p -179.5 69.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.85 99.32 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 101.05 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 m -159.28 112.29 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.69 -57.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 p -76.22 131.94 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -121.58 94.17 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.45 84.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -142.39 78.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.54 83.35 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.58 -59.07 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -57.91 155.83 21.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -169.34 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.07 130.38 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -114.7 157.08 23.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -138.85 127.37 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -59.2 135.44 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.71 159.04 20.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.85 167.22 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -61.77 -41.61 97.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.77 -49.5 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 14' ' ' LEU . 6.8 tp -58.68 -42.11 87.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.65 -14.11 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -99.06 -15.81 18.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' ALA . 76.3 t -80.87 -53.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 24' ' ' ILE . 1.9 mt -94.33 -62.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.57 35.7 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.571 HD12 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -112.89 -170.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.71 -44.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -135.4 96.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -125.98 160.0 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 71.9 p -67.31 -165.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.1 ttm180 -82.84 -46.14 0.88 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 1.5 mmt180 -36.36 -38.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' THR . 62.5 mt -71.55 -62.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 30.4 mt -40.85 -44.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.88 -48.69 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.95 -29.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CD1' HG21 ' A' ' 78' ' ' ILE . 93.9 mt -84.58 -36.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.9 m0 -60.57 -43.67 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -68.75 -58.61 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -39.55 -49.24 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 19.5 t -54.58 -69.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -49.42 -43.39 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.51 74.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -94.73 16.87 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.27 31.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.922 HD21 ' OD1' ' A' ' 57' ' ' ASP . 28.1 mt -77.34 -27.52 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.8 tt0 -38.36 146.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.33 134.36 25.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.42 3.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -74.14 -56.24 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.06 117.41 50.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -18.28 18.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 10.8 p -82.62 -28.55 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 1.5 m-85 -100.49 173.0 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 6.3 p90 -162.36 149.71 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 45' ' ' LEU . 19.2 m-80 -71.56 149.02 46.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -91.65 138.31 31.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.922 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -81.3 -69.32 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . -179.54 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -83.15 -24.24 32.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD22 ' HE2' ' A' ' 64' ' ' PHE . 12.7 mt -72.45 -27.24 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -63.94 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -39.19 -30.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 61' ' ' GLN . 97.1 t -76.56 -62.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.907 ' CG ' HD13 ' A' ' 69' ' ' LEU . 47.2 m-85 -90.16 -65.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 107.1 26.76 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.15 143.74 50.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.68 -42.35 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 53' ' ' PHE . 2.4 pttm -140.33 163.81 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.907 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.4 159.27 44.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.4 mtpt -82.3 171.65 14.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 29.0 m-85 -99.53 -8.78 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.6 p -109.33 -29.51 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.584 ' SD ' HD21 ' A' ' 69' ' ' LEU . 1.9 ppp? -85.18 15.06 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 17.8 t -82.64 -29.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -27.59 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -97.46 25.05 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CE ' ' SD ' ' A' ' 73' ' ' MET . 10.0 mmtt -136.53 -52.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.831 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.7 pp -64.12 -34.19 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -40.7 -54.71 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -45.15 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ILE . 97.1 m-70 -68.3 -37.64 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.831 HD11 ' CD1' ' A' ' 78' ' ' ILE . 31.3 mt -56.99 124.59 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -134.86 161.61 62.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.78 8.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 18.4 Cg_endo -75.03 152.46 40.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 18.5 Cg_endo -74.98 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.98 77.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.88 166.22 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.24 89.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.17 -57.8 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -160.78 -58.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.91 164.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.933 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.73 -117.04 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -47.45 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.15 76.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.23 153.81 36.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.4 m -57.69 152.58 35.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.88 34.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -174.22 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -136.64 155.73 49.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 83' ' ' SER . 12.4 m-85 -131.11 144.78 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 159.27 34.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -111.13 156.86 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -84.63 166.8 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.8 m -56.32 -43.35 78.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.06 -46.86 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 63' ' ' VAL . 4.8 tp -60.09 -27.29 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' SER . 25.5 mtp -73.51 -39.46 64.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.18 -11.04 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ALA . 71.1 t -80.14 -38.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.3 mt -115.7 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.55 36.08 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.2 pt -124.58 155.32 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.56 -23.78 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -149.69 104.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -131.86 175.73 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HD2' ' A' ' 31' ' ' ARG . 26.8 p -92.77 -173.36 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.7 ttm180 -81.66 -45.28 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -74.99 -8.78 20.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 76.7 mtt-85 -89.73 -50.41 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 82' ' ' LEU . 20.2 mt -62.01 -61.22 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 45.2 mt -39.88 -49.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -66.65 -51.14 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -43.94 -36.2 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' CD1' HG21 ' A' ' 78' ' ' ILE . 88.8 mt -77.06 -40.59 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.5 m0 -53.55 -46.25 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -66.94 -59.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -38.26 -56.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.925 HG13 ' HB2' ' A' ' 45' ' ' LEU . 77.3 t -53.62 -49.77 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -49.77 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . . . -57.9 -59.32 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -11.94 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER 66.04 42.65 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.925 ' HB2' HG13 ' A' ' 40' ' ' VAL . 61.2 mt -86.15 -20.58 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -40.97 137.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' A' ' 49' ' ' ASN . 1.3 m120 -88.12 132.42 39.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 3.1 p-10 -59.4 -54.62 44.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.47 125.26 25.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.92 21.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 37.9 m -84.22 -25.46 29.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -106.56 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 p90 -163.49 151.83 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.3 150.39 49.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 67' ' ' GLU . 14.7 p -91.55 170.43 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.49 -176.06 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.0 -0.44 27.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -112.02 -47.86 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.4 mt -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.26 -57.98 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.88 -26.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 18' ' ' LEU . 87.4 t -87.76 -71.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 69' ' ' LEU . 39.1 m-85 -73.86 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.6 45.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.74 133.33 48.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 12.5 pt-20 -39.87 -41.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 2.6 pttm -140.27 176.0 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -162.6 152.78 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -74.28 171.96 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -98.56 -6.09 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -113.86 -25.16 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.581 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 2.4 ptm -84.03 -4.75 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 70' ' ' LYS . 4.6 t -53.54 -56.86 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' SER . 23.3 t -40.3 -64.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -42.35 -31.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 69' ' ' LEU . 36.7 mmtt -86.53 -79.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 79' ' ' SER . 2.6 pp -37.04 -38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 78' ' ' ILE . 60.7 p -38.85 -56.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -45.54 -48.75 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.605 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.1 m-70 -62.8 -41.21 99.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.1 mt -51.12 131.79 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -142.02 157.43 64.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.97 9.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 18.3 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 18.3 Cg_endo -75.04 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.81 119.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.42 106.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.98 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.7 t 65.64 76.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.49 132.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.59 135.87 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 128.61 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -75.69 154.07 36.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.8 p -82.31 165.59 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.86 -43.31 85.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 -46.29 27.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.519 HD13 ' CG1' ' A' ' 63' ' ' VAL . 8.9 tp -59.56 -32.3 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' SER . 24.7 mtm -73.87 -29.68 62.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -10.1 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' CE2' ' A' ' 39' ' ' TYR . 8.3 t -83.86 -52.07 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 24' ' ' ILE . 1.5 mt -96.57 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.49 0.88 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.85 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -111.98 -169.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.42 -44.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -138.03 105.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -131.8 -179.35 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 60.8 p -89.9 -162.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.605 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.4 ttp180 -82.83 -45.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.02 -57.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' PRO . 83.4 mtt180 -35.51 -41.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.2 mt -71.39 -63.0 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 69.2 mt -43.85 -43.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -70.83 -47.8 57.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -47.52 -30.07 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 40' ' ' VAL . 93.7 mt -82.85 -35.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.7 m0 -61.64 -50.66 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HG13 ' A' ' 21' ' ' VAL . 49.8 t80 -43.05 -54.34 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.0 t -46.18 -63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' LYS . 25.4 mttt -55.89 -46.77 78.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.94 -44.12 40.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.93 23.71 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LYS . 25.0 mtmt 41.4 47.04 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 57' ' ' ASP . 28.3 mt -91.26 -27.67 18.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -38.99 141.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.4 132.57 23.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -53.3 -46.71 69.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -128.72 119.2 20.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.7 21.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -90.53 -28.38 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.8 m-85 -99.54 161.17 13.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CB ' HG11 ' A' ' 40' ' ' VAL . 10.3 p90 -146.68 143.58 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -70.35 164.18 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.1 p -100.41 151.24 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.91 -50.41 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.14 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.68 -19.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.3 mt -76.0 -25.4 55.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -66.75 -64.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -39.42 -30.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.3 t -74.41 -67.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 60' ' ' LEU . 58.0 m-85 -85.27 -64.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 116.62 -6.43 18.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.66 145.29 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.06 -41.14 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pttp -144.36 160.3 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.854 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -145.4 170.02 17.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 9.6 mttt -84.45 159.72 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' SER . 10.2 m-85 -79.12 -14.0 59.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 p -101.56 -40.12 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.591 ' HB2' HD23 ' A' ' 69' ' ' LEU . 4.6 mmt -55.2 -32.74 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.635 HG13 ' CG2' ' A' ' 78' ' ' ILE . 64.1 t -42.88 -37.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.434 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 5.6 t -60.57 -46.59 89.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' MET . 9.2 pt20 -90.6 26.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.854 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.0 mmtt -134.9 -50.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.862 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.03 -34.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' LEU . 73.6 p -41.37 -58.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -44.28 -42.97 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.81 -36.72 73.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.862 HD11 ' CD1' ' A' ' 78' ' ' ILE . 32.9 mt -57.03 136.35 56.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -141.35 161.8 50.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.98 9.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 83' ' ' SER . 55.0 m-85 -150.38 131.37 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -60.39 172.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 24' ' ' ILE . 1.9 mp -119.26 152.21 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -80.65 174.12 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.81 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.888 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -86.6 -45.1 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 63' ' ' VAL . 4.8 tp -64.03 -20.58 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.4 mtm -76.86 -36.32 56.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 0.4 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.5 t -86.5 -50.35 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.891 HD22 ' HB1' ' A' ' 35' ' ' ALA . 7.0 mt -106.15 -51.51 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.7 25.18 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.8 pt -116.49 155.47 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -105.3 -26.89 11.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -160.79 110.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.827 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.9 tp10 -133.57 166.91 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 51.8 p -62.99 -170.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp180 -81.36 -44.57 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.94 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.49 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.3 mmp_? -41.34 -43.96 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 28' ' ' THR . 39.4 mt -68.25 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 57.3 mt -42.46 -45.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.75 -50.31 65.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -45.5 -37.84 5.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.875 ' O ' HG23 ' A' ' 40' ' ' VAL . 60.1 mt -78.41 -34.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 22.8 m0 -59.47 -43.29 93.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.684 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 7.8 t-160 -75.79 -61.31 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 64.7 t80 -36.89 -38.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 36' ' ' ILE . 76.7 t -68.19 -62.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -36.99 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -68.96 -40.16 79.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -89.54 21.75 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.64 38.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.759 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.0 mt -85.63 -26.25 26.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -42.29 151.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.37 131.17 29.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -30.88 6.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -78.22 -65.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -97.54 113.4 63.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.85 21.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 58.0 m -94.72 -11.38 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -114.08 178.16 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HB2' HG11 ' A' ' 40' ' ' VAL . 16.1 p90 -167.41 156.87 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -74.86 132.77 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.28 102.43 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.759 ' OD1' HD21 ' A' ' 45' ' ' LEU . 13.6 m-20 -53.44 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -74.18 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 45' ' ' LEU . 52.8 mt -43.09 -28.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.64 -67.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -41.02 -29.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 18' ' ' LEU . 79.4 t -77.26 -67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.716 ' CG ' HD13 ' A' ' 69' ' ' LEU . 62.8 m-85 -77.05 -67.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.61 1.81 24.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -111.47 143.03 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.4 pt-20 -50.55 -44.42 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -137.7 158.67 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.69 167.68 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.1 mttt -87.97 155.09 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.92 -16.75 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -98.15 -43.25 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.505 ' HB2' HD23 ' A' ' 69' ' ' LEU . 66.4 mmm -53.62 -29.74 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 70' ' ' LYS . 68.9 t -43.4 -34.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -66.35 -45.43 80.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.3 OUTLIER -90.53 28.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.636 ' HE3' HD21 ' A' ' 69' ' ' LEU . 13.4 mmtt -135.86 -52.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.2 pp -67.3 -32.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -47.28 -33.1 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' ILE . 95.9 m-70 -80.07 -30.64 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 78' ' ' ILE . 37.1 mt -56.09 113.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.7 m -115.4 158.66 40.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 123.12 7.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mttp . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -131.82 159.5 38.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -87.17 145.35 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -97.6 146.23 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.2 170.13 16.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -63.21 -39.12 93.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.2 -48.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 14' ' ' LEU . 7.9 tp -61.37 -42.26 98.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.11 -14.37 23.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.95 -6.96 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.716 HG22 ' HB1' ' A' ' 59' ' ' ALA . 38.7 t -87.32 -52.12 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 35' ' ' ALA . 4.2 mt -100.49 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.5 35.2 0.94 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -111.15 -169.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -145.69 -45.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -139.76 98.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.9 tp10 -127.44 174.12 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.6 p -75.06 -166.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.594 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.3 ttm-85 -82.52 -46.0 0.93 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.0 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.6 mmp_? -35.73 -39.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.3 mt -73.83 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 85.6 mt -44.37 -44.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.64 -50.25 52.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.87 -29.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 95.7 mt -84.76 -40.28 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.0 m0 -56.44 -40.61 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 2.5 t-160 -73.28 -62.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -40.59 -43.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ILE . 69.7 t -59.85 -56.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -34.87 76.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -63.98 -41.41 97.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.66 8.33 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 55.08 35.21 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 44.6 mt -79.92 -27.82 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -41.49 143.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -97.36 132.31 25.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.05 -47.86 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -127.14 120.01 22.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.71 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -91.51 -41.19 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -85.96 177.6 7.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 47.6 p90 -165.83 155.96 12.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -71.67 143.57 49.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -115.17 105.92 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.1 m-20 -67.27 -171.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.15 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -68.26 -70.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 49.2 mt -42.92 -31.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.54 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -42.55 -29.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 18' ' ' LEU . 73.9 t -75.17 -69.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.798 ' CG ' HD13 ' A' ' 69' ' ' LEU . 50.2 m-85 -81.77 -64.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 109.99 18.91 8.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.59 143.5 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -46.11 -48.26 17.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 1.4 pttm -138.54 166.23 24.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -148.5 167.04 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 18.0 mttt -88.28 143.84 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' SER . 4.5 m-85 -62.08 -21.52 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.7 p -90.98 -43.41 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.66 ' HB2' HD23 ' A' ' 69' ' ' LEU . 21.9 mmt -52.05 -37.52 53.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 70' ' ' LYS . 83.2 t -41.94 -35.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -62.02 -51.37 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -91.06 31.45 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.725 ' HE3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -133.08 -46.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.873 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -66.3 -34.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 53.7 p -41.49 -57.9 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -37.47 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.452 ' CD2' HG13 ' A' ' 63' ' ' VAL . 98.4 m-70 -77.36 -38.48 50.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.873 HD11 ' CD1' ' A' ' 78' ' ' ILE . 48.1 mt -53.6 138.27 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 156.52 76.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.66 8.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HD2' HD13 ' A' ' 82' ' ' LEU . 25.1 m-85 -118.36 133.9 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -63.57 135.3 56.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.05 153.88 22.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 165.39 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -59.65 -34.49 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -85.13 -44.72 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 63' ' ' VAL . 9.9 tp -62.7 -25.16 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 23.1 mtm -78.05 -36.48 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.46 -15.12 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 17' ' ' ALA . 75.2 t -77.89 -39.44 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 35' ' ' ALA . 9.8 mt -110.62 -61.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 119.59 36.01 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -114.16 -170.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -143.88 -44.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -137.42 102.35 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.1 tp10 -132.67 171.89 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 61.5 p -81.32 -162.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.9 ttm180 -83.1 -44.68 0.86 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.6 Cg_endo -74.95 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PRO . 79.7 mtt-85 -35.63 -40.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 28' ' ' THR . 45.7 mt -73.62 -62.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 62.7 mt -42.62 -40.91 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.93 -48.54 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.58 -34.54 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.3 mt -78.11 -35.79 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -59.92 -46.79 88.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 2.9 t-160 -70.55 -60.45 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -42.31 -52.53 4.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.4 t -50.0 -61.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' LYS . 13.3 mtpt -54.82 -50.34 68.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.526 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -50.8 -34.98 29.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 45' ' ' LEU . 1.1 mmp_? -95.43 26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 2.2 mmtt 41.5 29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD21 ' OD1' ' A' ' 57' ' ' ASP . 38.2 mt -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -41.5 132.89 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.18 132.72 79.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -34.98 3.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -78.74 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 95.7 m-20 -99.54 113.37 64.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.77 21.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -88.13 -28.27 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.2 m-85 -98.97 -179.16 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 8.2 p90 -166.87 153.41 8.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.1 m-80 -80.37 152.62 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -93.82 140.72 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.795 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.64 -69.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -177.62 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.4 -22.24 30.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HE2' ' A' ' 64' ' ' PHE . 16.8 mt -73.62 -22.4 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.59 -65.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -39.24 -30.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.8 t -76.27 -67.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CG ' HD13 ' A' ' 69' ' ' LEU . 53.7 m-85 -79.58 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.14 9.75 17.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -117.27 164.98 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 12.8 pt-20 -71.93 -40.32 68.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.76 155.14 44.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.901 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -140.94 169.85 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 74' ' ' VAL . 24.1 mttt -87.86 157.28 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 m-85 -76.79 -10.27 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.3 p -105.8 -40.43 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.472 ' HB2' HD23 ' A' ' 69' ' ' LEU . 59.5 mmm -55.04 -37.09 66.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.0 t -40.4 -36.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 m -58.42 -51.2 70.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER -89.77 31.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.1 mmtt -135.25 -48.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.701 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -71.62 -34.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.1 p -45.37 -47.8 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -50.51 -42.03 54.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 88.3 m-70 -71.85 -41.27 68.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 78' ' ' ILE . 66.5 mt -48.46 144.5 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.81 162.41 26.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.41 9.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 m-85 -121.64 122.02 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -50.55 145.84 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -94.73 155.72 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 169.89 13.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.8 m -58.55 -49.23 78.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.99 -46.56 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.0 tp -56.95 -35.77 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLY . 18.4 mtm -69.57 -36.56 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.45 -12.28 59.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.7 t -80.76 -41.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.9 mt -110.09 -61.53 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 118.94 34.62 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -112.18 -169.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -144.65 -45.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 t -136.62 100.11 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.8 tp10 -126.99 -177.33 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.522 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 67.8 p -92.7 -168.8 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.448 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.9 ttp180 -81.33 -45.24 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.5 mmp_? -52.26 -50.59 61.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' THR . 60.5 mt -62.25 -63.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 71.6 mt -39.42 -48.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.02 -49.08 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -46.16 -30.9 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.92 -37.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.5 m0 -59.55 -47.39 85.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -67.48 -57.56 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 31.0 t80 -42.82 -57.99 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.0 t -41.07 -60.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -60.65 -32.91 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -52.43 -61.27 2.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.0 mpt_? -86.93 33.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.5 mptt 38.49 56.41 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' OD1' ' A' ' 57' ' ' ASP . 56.2 mt -93.57 -31.04 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -39.27 143.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.503 HD22 ' ND2' ' A' ' 55' ' ' ASN . 1.2 t-20 -99.49 137.43 20.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -44.24 -48.49 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -132.85 123.59 18.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.94 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' PHE . 1.9 t -78.3 -35.55 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.0 m-85 -94.18 169.36 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 7.7 p90 -154.61 147.79 24.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.503 ' ND2' HD22 ' A' ' 47' ' ' ASN . 59.9 m-80 -74.22 152.67 39.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.14 151.1 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.785 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -96.48 -49.49 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.11 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -92.54 -21.17 20.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HE2' ' A' ' 64' ' ' PHE . 13.7 mt -74.94 -25.65 59.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.58 -65.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -30.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.1 t -74.57 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.923 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.9 m-85 -84.29 -64.91 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.13 6.28 18.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -114.24 139.1 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.04 -40.23 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -141.33 161.82 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.923 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -147.43 163.79 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.7 mtpt -82.68 161.54 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.7 m-85 -83.07 -14.97 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 p -100.81 -34.38 9.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.467 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 65.9 mmm -64.29 -25.6 68.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 70' ' ' LYS . 72.6 t -49.74 -32.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -63.21 -48.05 79.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.81 30.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.1 mmtt -136.34 -47.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.868 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.9 pp -68.0 -33.09 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 p -44.88 -51.8 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -49.2 -35.49 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ILE . 99.5 m-70 -81.61 -34.85 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.577 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.868 HD11 ' CD1' ' A' ' 78' ' ' ILE . 42.5 mt -55.6 128.2 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -146.75 165.96 17.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.1 Cg_endo -75.03 141.06 26.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 28' ' ' THR . 3.7 mttm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.432 ' CD2' HD13 ' A' ' 82' ' ' LEU . 25.8 m-85 -129.98 129.02 43.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -57.93 152.18 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -98.94 150.64 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.19 168.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.6 m -59.82 -39.78 86.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.66 -45.27 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 63' ' ' VAL . 7.8 tp -60.03 -27.49 66.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.5 mtm -77.74 -22.73 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -9.68 43.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 17' ' ' ALA . 54.4 t -85.76 -27.61 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.3 mt -124.14 -65.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.98 37.25 0.72 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.738 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -112.87 -169.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -143.28 -44.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -140.06 104.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.2 tp10 -126.14 -161.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 32' ' ' ILE . 40.5 p -112.16 -162.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.6 ttp180 -81.37 -44.76 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.08 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 89.0 mtt-85 -36.6 -46.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 28' ' ' THR . 54.2 mt -67.42 -63.73 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 89.6 mt -40.34 -44.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.75 -49.93 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -45.33 -27.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.7 mt -87.2 -39.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 30.2 m0 -59.09 -52.28 66.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 1.8 t-160 -60.24 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.6 t80 -38.38 -57.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.8 t -41.33 -68.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -55.48 -36.63 66.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -59.82 -33.24 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' TYR . 13.3 mmp_? -104.14 16.88 25.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp 47.76 41.71 14.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.926 HD21 ' OD1' ' A' ' 57' ' ' ASP . 40.3 mt -85.11 -27.92 25.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -38.91 144.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -104.47 131.22 22.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -41.93 -33.43 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -153.06 117.61 2.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.93 21.55 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -81.03 -14.09 58.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -116.83 176.39 5.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.9 p90 -162.24 145.42 11.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.37 155.95 31.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -90.08 159.29 16.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.926 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.82 -48.71 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 162.44 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.32 -16.8 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -78.4 -21.96 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -69.31 -63.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLN . 3.2 mmmt -39.6 -30.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 81' ' ' HIS . 79.0 t -75.79 -68.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.745 ' CG ' HD13 ' A' ' 69' ' ' LEU . 37.0 m-85 -85.47 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 108.61 16.51 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.95 136.67 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -42.5 -45.62 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' CE ' ' CD1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -140.1 159.06 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.745 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -143.18 170.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mttt -87.39 145.4 26.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.55 -19.22 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -91.86 -46.76 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.607 ' HB2' HD23 ' A' ' 69' ' ' LEU . 61.6 mmm -48.14 -35.2 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.579 HG13 ' CG2' ' A' ' 78' ' ' ILE . 57.9 t -39.83 -61.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 91.7 p -38.1 -49.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.3 tt0 -69.97 -55.99 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.706 ' HE3' HD11 ' A' ' 69' ' ' LEU . 28.5 mmtt -50.73 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 82' ' ' LEU . 2.0 pp -40.25 -39.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -47.5 -48.8 27.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -54.63 -36.53 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.535 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.7 m-70 -80.22 -36.87 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 78' ' ' ILE . 12.7 mt -52.48 120.92 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 156.3 66.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.8 7.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.443 1.76 . . . . 0.0 111.026 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HG2' HG22 ' A' ' 28' ' ' THR . 8.9 mttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.37 137.26 54.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 3.3 tttm -64.14 138.67 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -83.44 158.11 22.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -83.46 165.74 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -57.79 -36.85 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -81.62 -45.63 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -60.13 -38.21 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.84 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -3.47 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG22 ' HB1' ' A' ' 59' ' ' ALA . 55.5 t -89.89 -27.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 24' ' ' ILE . 1.4 mt -125.6 -57.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.53 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -116.42 -170.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.89 -43.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -155.8 101.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.42 166.79 11.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' HG2' ' A' ' 11' ' ' LYS . 10.3 p -71.57 157.71 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.599 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 ttm180 -52.4 -45.69 95.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 6.7 mmt180 -77.26 -56.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 49.6 mt -52.76 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 82.6 mt -41.77 -56.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -56.55 -50.55 71.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -42.8 -45.97 5.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.9 mt -71.21 -36.99 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 24.0 m0 -58.91 -52.33 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 12.4 t-160 -65.24 -61.06 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -38.81 -54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.3 t -51.74 -56.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -51.82 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -92.05 14.64 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.69 38.66 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.722 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.8 mt -83.35 -25.08 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -40.41 146.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.43 129.71 31.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.22 -47.98 66.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -130.66 120.16 18.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -11.65 21.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.29 -28.65 27.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -101.37 172.47 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' HG11 ' A' ' 40' ' ' VAL . 19.7 p90 -156.35 156.09 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.3 140.74 43.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -107.29 108.89 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.665 ' OD1' HD21 ' A' ' 45' ' ' LEU . 16.0 m-20 -66.9 -174.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.3 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -75.07 -71.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.537 HD22 ' HE2' ' A' ' 64' ' ' PHE . 23.0 mt -41.69 -29.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.4 mt-30 -64.5 -63.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -28.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 18' ' ' LEU . 73.6 t -79.72 -69.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CG ' HD13 ' A' ' 69' ' ' LEU . 58.1 m-85 -75.55 -65.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.94 9.89 21.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -115.46 167.58 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.8 -38.12 62.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -146.38 162.03 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -149.19 164.1 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.755 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.6 mttt -83.35 148.45 27.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.53 -15.49 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.8 p -97.91 -39.12 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 69.0 mmm -62.0 -28.47 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' LYS . 39.7 t -40.24 -63.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.448 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 70.8 p -40.37 -53.91 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.61 -43.18 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HG3' HD21 ' A' ' 69' ' ' LEU . 29.0 mmtt -71.76 -70.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.828 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.5 pp -38.57 -32.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -45.24 -56.52 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.96 -30.91 16.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.59 ' CD2' HG13 ' A' ' 63' ' ' VAL . 89.3 m-70 -83.31 -30.76 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 78' ' ' ILE . 25.5 mt -60.4 111.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.7 m -123.06 161.08 46.73 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -134.61 142.01 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.959 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.96 167.49 19.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.59 151.42 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 169.56 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -56.49 -45.1 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -70.5 -48.72 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.623 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.3 tp -57.84 -39.16 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mtp -65.74 -10.15 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -0.68 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG22 ' HB1' ' A' ' 59' ' ' ALA . 49.5 t -91.51 -43.59 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 35' ' ' ALA . 12.4 mt -113.63 -55.08 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.22 33.86 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.8 pt -120.54 158.42 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.525 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -109.91 -28.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -159.02 112.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -137.33 167.35 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 81.7 p -62.39 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -83.92 -43.99 0.78 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 9.7 mmp_? -36.37 -44.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 50.6 mt -68.35 -63.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 74.8 mt -45.0 -46.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.12 -49.47 69.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.718 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.34 -37.94 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.6 mt -78.53 -32.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.0 m0 -61.94 -48.12 81.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -69.84 -45.94 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.636 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.3 t80 -52.15 -55.71 19.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.2 t -40.08 -59.1 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -47.77 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 10.7 mpt_? -86.27 32.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER 38.49 40.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 HD12 ' A' ' 60' ' ' LEU . 30.0 mt -76.65 -28.79 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -41.84 147.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.33 131.8 25.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.64 -58.72 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 119.33 40.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.29 20.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t -86.58 -16.22 37.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -109.81 179.81 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.2 p90 -168.41 156.48 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.45 136.1 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.1 m -102.05 105.58 16.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m-20 -57.32 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.65 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -69.76 -68.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 45' ' ' LEU . 77.5 mt -40.29 -34.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -61.37 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.26 -30.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.623 ' CG1' HD13 ' A' ' 18' ' ' LEU . 85.2 t -77.8 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CG ' HD13 ' A' ' 69' ' ' LEU . 72.7 m-85 -76.85 -67.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.12 -1.09 22.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.89 137.72 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -46.98 -44.4 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -134.94 156.76 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.812 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.03 168.15 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.761 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.6 mttt -88.6 151.77 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 m-85 -72.86 -17.33 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -97.03 -41.14 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 76.9 mmm -57.99 -32.06 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 70' ' ' LYS . 55.7 t -41.76 -28.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 73' ' ' MET . 8.9 m -67.73 -51.61 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' MET . 10.3 pt20 -89.27 34.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.71 ' CE ' HD21 ' A' ' 69' ' ' LEU . 6.6 mmtt -136.03 -54.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -63.29 -26.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 82' ' ' LEU . 94.7 p -49.58 -49.57 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -49.48 -29.24 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 86.3 m-70 -88.61 -35.56 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -51.8 129.78 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -130.59 159.13 72.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.16 8.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 6.9 mttp . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 50.3 m-85 -162.83 144.56 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -76.78 149.35 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -100.16 153.11 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 m -82.43 169.58 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 m -57.98 -40.0 79.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.84 -46.55 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 63' ' ' VAL . 5.7 tp -60.9 -30.98 70.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtp -72.01 -23.34 61.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.67 -1.4 40.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' ALA . 50.7 t -91.2 -36.63 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.4 mt -119.06 -57.57 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.8 33.26 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 14' ' ' LEU . 1.3 pt -116.92 164.35 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.83 -39.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.79 100.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 2.4 tp10 -124.21 -159.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 32' ' ' ILE . 79.5 p -111.38 -165.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.25 -44.9 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CB ' ' HG3' ' A' ' 27' ' ' GLU . 1.3 mmp_? -41.47 -51.97 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 28' ' ' THR . 57.8 mt -60.86 -63.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 87.7 mt -40.67 -50.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.35 -50.71 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.72 -34.21 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.1 mt -82.92 -37.26 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.1 m0 -59.15 -54.19 49.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 4.4 t-160 -60.6 -67.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 43' ' ' ARG . 36.2 t80 -37.96 -56.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.3 t -43.51 -64.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -56.86 -49.07 76.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.695 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -52.9 -25.66 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 3.7 mmm180 -104.07 21.85 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 44.77 37.37 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 57' ' ' ASP . 24.7 mt -83.76 -31.52 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -38.82 141.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.46 131.05 39.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -74.94 -60.67 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.09 114.74 63.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.85 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -82.53 -15.67 51.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -111.81 173.24 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 11.0 p90 -156.14 146.94 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.444 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 m-80 -77.09 154.68 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.2 p -89.56 152.41 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 1.8 m-20 -95.91 -50.89 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.19 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.9 -24.94 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.7 mt -70.24 -20.48 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.44 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -39.83 -30.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 21' ' ' VAL . 77.0 t -72.9 -64.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.7 ' CG ' HD13 ' A' ' 69' ' ' LEU . 26.4 m-85 -92.86 -63.39 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.78 1.25 25.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.54 150.03 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -55.73 -44.66 77.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.9 159.42 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.7 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.35 169.57 17.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 15.5 mttt -85.45 146.59 26.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 21.0 m-85 -70.74 -10.49 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -101.43 -45.64 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.479 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 53.5 mmm -50.22 -33.28 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 78' ' ' ILE . 45.2 t -42.07 -59.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 33' ' ' ILE . 2.5 t -38.49 -34.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' MET . 2.0 tt0 -85.37 -55.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.698 ' HE3' HD11 ' A' ' 69' ' ' LEU . 24.3 mmtt -51.22 -52.42 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.796 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -55.14 -38.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -50.85 -43.36 59.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -17.95 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -99.08 -36.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 78' ' ' ILE . 19.5 mt -54.89 125.56 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 75.8 m -128.55 155.93 78.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.23 7.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 2.9 mtpt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 83' ' ' SER . 5.1 m-85 -133.5 135.06 44.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 8.0 tttt -66.33 131.37 45.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 24' ' ' ILE . 3.5 mp -75.22 168.56 19.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 169.33 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -58.92 -30.43 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -88.29 -44.42 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 HG21 ' A' ' 63' ' ' VAL . 3.4 tp -62.62 -34.3 76.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG3' ' CB ' ' A' ' 14' ' ' LEU . 10.3 mtp -66.46 -18.21 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.1 -20.29 13.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.1 t -71.55 -31.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.763 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -119.86 -60.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.63 0.88 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -120.06 174.56 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 7.3 tp10 -117.55 -35.49 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -166.24 104.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -117.85 166.69 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 16.0 p -71.04 156.34 39.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.7 ttm180 -50.94 -46.08 87.7 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -12.2 21.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.535 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 8.2 mmp_? -92.89 -52.6 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 53.5 mt -55.24 -57.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 62.1 mt -48.68 -58.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -51.22 -49.9 60.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.763 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.84 -32.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 40' ' ' VAL . 59.7 mt -82.89 -38.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ALA . 27.0 m0 -60.99 -49.91 75.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.7 t-160 -62.26 -55.8 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.691 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.7 t80 -48.64 -55.33 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -42.11 -52.35 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -36.84 85.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -44.84 -60.19 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 3.2 mpt_? -86.75 22.13 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 46.14 50.62 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' HG13 ' A' ' 40' ' ' VAL . 37.4 mt -84.92 -18.22 35.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -47.92 139.32 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 125.96 57.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.52 9.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -73.99 -55.38 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.42 114.31 45.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.61 20.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -18.25 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.6 m-85 -110.03 177.73 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 35.4 p90 -159.0 148.05 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -65.73 157.71 29.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.7 p -103.96 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.868 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -130.62 -174.08 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.53 1.54 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -116.03 -44.55 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.7 mt -66.92 -29.11 68.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.3 mt-30 -64.48 -56.76 12.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -28.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG13 ' NE2' ' A' ' 81' ' ' HIS . 77.0 t -79.14 -69.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.75 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -82.93 -63.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 103.67 8.84 39.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -106.32 149.85 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.51 -43.23 68.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -150.61 158.79 44.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.92 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.5 mttt -87.42 137.83 32.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 12.8 m-85 -58.79 -16.71 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 p -95.23 -46.08 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 46.0 mmm -50.18 -35.66 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 78' ' ' ILE . 53.7 t -39.29 -63.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 18.7 t -37.01 -44.14 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.82 -47.44 53.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 69' ' ' LEU . 15.1 mmtt -63.96 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.825 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -39.85 -39.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.62 -52.01 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -44.63 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.683 ' NE2' HG13 ' A' ' 63' ' ' VAL . 97.4 m-70 -70.67 -33.06 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.825 HD11 ' CD1' ' A' ' 78' ' ' ILE . 15.5 mt -58.81 116.54 3.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -129.56 162.84 50.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.19 7.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -119.34 122.63 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -47.97 146.09 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -97.15 146.09 25.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 167.13 19.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -60.19 -36.43 77.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.79 -44.88 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 63' ' ' VAL . 4.5 tp -61.17 -26.24 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.4 mtm -77.68 -40.19 42.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.92 -17.41 61.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.6 t -72.0 -49.75 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 24' ' ' ILE . 6.1 mt -102.8 -61.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.3 35.92 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.527 HD12 ' HB2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -112.71 -172.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -44.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.94 91.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -116.17 162.23 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' ARG . 22.5 p -80.93 -173.45 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.4 ttm180 -81.66 -45.48 1.08 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -9.1 20.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.0 mtt180 -87.73 -52.51 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 42.7 mt -57.68 -62.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 72.5 mt -39.78 -54.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -61.04 -50.91 71.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.53 -42.53 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 40' ' ' VAL . 81.8 mt -74.13 -38.51 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 21.8 m0 -56.42 -35.44 67.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 5.4 t60 -80.37 -61.12 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -39.69 -40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 36' ' ' ILE . 50.1 t -60.73 -65.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -55.57 -42.7 75.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.576 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -57.1 -47.46 81.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -83.83 6.48 21.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.33 51.76 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' HG13 ' A' ' 40' ' ' VAL . 83.0 mt -98.3 -27.44 14.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -41.46 133.23 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.0 128.59 78.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.58 20.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.52 -52.6 4.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -112.27 114.09 51.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.2 21.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -87.82 -20.71 25.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.1 m-85 -109.36 177.61 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 16.9 p90 -159.27 147.17 17.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.1 157.47 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.8 p -105.63 160.51 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 108.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD2' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -124.98 -174.02 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.5 1.96 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . . . -110.71 -51.03 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' OD1' ' A' ' 57' ' ' ASP . 29.8 mt -62.19 -36.06 80.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.04 -52.07 66.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.32 -29.45 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 18' ' ' LEU . 54.3 t -82.2 -72.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CG ' HD13 ' A' ' 69' ' ' LEU . 56.5 m-85 -76.61 -64.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 66' ' ' GLU . . . 103.49 7.3 42.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 2.2 mp0 -105.13 146.76 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.88 -43.5 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -150.36 158.13 43.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -139.8 168.77 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 11.8 mttt -86.78 145.15 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 20.3 m-85 -66.3 -14.33 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -98.39 -45.83 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 35.7 mmm -51.23 -32.13 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 78' ' ' ILE . 55.0 t -39.08 -58.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 86.2 p -43.64 -46.55 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.9 tt0 -66.22 -55.68 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.662 ' HG3' HD21 ' A' ' 69' ' ' LEU . 39.6 mmtt -57.68 -68.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.1 pp -38.45 -33.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -49.44 -50.72 39.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -54.62 -20.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.613 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.9 m-70 -95.43 -37.47 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 78' ' ' ILE . 46.9 mt -54.58 114.78 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -134.11 164.48 43.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.01 140.37 25.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.515 1.798 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB3' HG12 ' A' ' 26' ' ' VAL . 2.7 mtpt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.59 167.01 9.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.66 156.69 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -86.4 160.96 18.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -35.25 61.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.0 -47.03 15.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.598 HD23 HD23 ' A' ' 14' ' ' LEU . 9.4 tp -58.68 -36.51 74.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.67 -34.25 76.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.28 0.55 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 17' ' ' ALA . 23.7 t -98.49 -56.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -95.53 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.99 1.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 14' ' ' LEU . 1.1 pt -117.49 162.19 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' HG23 ' A' ' 26' ' ' VAL . 15.0 pt-20 -112.64 -42.91 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 13' ' ' LYS . 16.3 t -140.65 108.16 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.1 tp10 -131.09 171.74 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 71.9 p -74.22 -164.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.4 ttp180 -83.51 -45.21 0.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -56.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.5 mmp_? -35.68 -41.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 28' ' ' THR . 56.4 mt -70.29 -61.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 66.4 mt -45.45 -48.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.01 -49.03 74.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.37 -36.52 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.602 HG13 HD21 ' A' ' 22' ' ' LEU . 80.5 mt -80.55 -32.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 28.0 m0 -62.83 -57.15 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 4.4 t-160 -59.5 -63.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.636 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -38.75 -54.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.2 t -52.18 -50.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -51.28 67.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -51.93 -35.54 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.45 19.47 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.98 34.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.603 HD11 ' CG ' ' A' ' 57' ' ' ASP . 16.3 mt -77.62 -29.6 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . 53.2 tt0 -38.66 141.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 55' ' ' ASN . 2.2 t-20 -96.87 134.66 22.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.543 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -51.98 -48.12 64.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -127.58 118.41 21.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.63 20.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -85.55 -17.07 37.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 2.2 m-85 -109.57 166.83 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.1 p90 -151.91 145.72 25.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 47' ' ' ASN . 20.6 m-80 -77.27 155.15 32.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.59 156.79 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -100.71 -51.19 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.55 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.12 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 64' ' ' PHE . 17.2 mt -71.57 -23.02 61.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.07 -64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' GLN . 2.8 mtpp -39.6 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 81' ' ' HIS . 77.1 t -75.8 -65.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.675 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -89.54 -64.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.65 -4.79 26.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.61 144.44 28.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.55 -44.6 62.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -138.15 163.07 32.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.888 HD21 ' HE2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -149.29 167.65 25.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.698 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.2 mttt -86.75 151.66 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 16.7 m-85 -72.67 -20.05 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -93.68 -44.87 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 45.3 mmm -52.6 -35.42 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 70' ' ' LYS . 42.7 t -40.17 -55.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 47.3 t -37.45 -41.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.6 tt0 -75.42 -60.14 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.888 ' HE2' HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.4 pp -47.1 -39.32 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -46.88 -47.6 21.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -57.6 -28.94 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 63' ' ' VAL . 95.1 m-70 -87.31 -37.38 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 78' ' ' ILE . 13.4 mt -53.76 119.48 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 160.06 70.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.49 7.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CG ' ' HB3' ' A' ' 82' ' ' LEU . 6.6 m-85 -152.88 145.76 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' SER . 12.0 ttmt -74.87 149.18 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 ' CD2' HD12 ' A' ' 22' ' ' LEU . 3.0 mp -96.89 143.06 28.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' MET . 10.4 m -74.43 170.42 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 m -58.64 -26.76 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.89 -46.73 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 63' ' ' VAL . 3.8 tp -67.34 -22.46 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' SER . 7.9 mtm -77.46 -8.69 58.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 -2.18 13.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HB1' ' A' ' 59' ' ' ALA . 8.2 t -93.22 -24.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD12 ' CD2' ' A' ' 14' ' ' LEU . 4.4 mt -126.71 -56.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.96 10.3 8.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.816 HD12 ' HB2' ' A' ' 27' ' ' GLU . 3.6 pt -103.77 154.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -101.1 -24.2 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -167.38 122.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -141.18 161.45 37.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 32' ' ' ILE . 69.1 p -55.48 -164.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.631 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 ttp180 -84.09 -44.04 0.76 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 27' ' ' GLU . 89.4 mtt-85 -42.3 -52.04 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 28' ' ' THR . 53.5 mt -60.12 -66.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 91.7 mt -40.99 -49.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.49 -48.04 76.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.4 mt -86.11 -36.86 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.6 m0 -62.03 -49.71 74.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -63.29 -57.48 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 45.6 t80 -46.92 -57.6 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.6 t -45.55 -64.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -51.77 -53.75 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -28.26 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 57' ' ' ASP . 8.0 mmm180 -101.99 21.45 14.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt 42.49 33.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.965 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.3 mt -81.46 -16.02 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -51.87 149.95 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 2.1 m120 -102.29 127.32 30.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.95 4.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -69.72 -59.31 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.5 114.94 52.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.39 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -86.03 -12.37 50.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -112.2 176.91 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 51.5 p90 -160.92 154.16 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 47' ' ' ASN . 4.5 m-80 -76.92 137.54 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 m -100.43 117.38 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.965 ' OD1' HD21 ' A' ' 45' ' ' LEU . 27.3 m-20 -71.34 -175.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -30.69 70.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -79.17 -59.75 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.9 mt -47.66 -25.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.25 -66.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -39.97 -29.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' A' ' 81' ' ' HIS . 72.0 t -75.14 -68.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.588 ' CG ' HD13 ' A' ' 69' ' ' LEU . 49.3 m-85 -80.8 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.02 8.96 25.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.34 159.83 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.58 -48.46 79.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 2.8 pttm -138.53 163.61 31.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.588 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -147.34 165.35 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.6 mttt -85.13 133.38 34.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 10.5 m-85 -55.46 -20.07 11.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -90.87 -47.01 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.491 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 74.3 mmm -56.89 -23.27 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 11.5 t -39.71 -57.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 2.8 t -47.86 -54.78 11.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.95 -18.98 15.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.551 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.5 mmtt -95.08 -72.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.891 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.7 pp -38.78 -41.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.473 ' N ' HD12 ' A' ' 78' ' ' ILE . 39.4 m -45.25 -47.69 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 6.8 t60 -51.82 -32.96 33.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.626 ' CD2' HG13 ' A' ' 63' ' ' VAL . 93.6 m-70 -87.4 -36.91 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.663 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 78' ' ' ILE . 44.6 mt -48.03 119.38 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.2 m -131.04 163.6 48.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.64 8.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 83' ' ' SER . 61.4 m-85 -138.14 133.09 32.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 2.5 mttm -60.61 169.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 158.75 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.9 p -85.46 168.57 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.07 71.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.998 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -82.03 -46.19 14.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' VAL . 4.3 tp -62.84 -26.68 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' SER . 21.8 mtp -74.58 -32.09 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.56 0.19 57.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.4 t -92.84 -50.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' HB1' ' A' ' 35' ' ' ALA . 8.1 mt -102.51 -56.25 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.24 1.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.3 pt -124.47 156.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.596 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -107.78 -25.73 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.596 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -162.42 111.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.695 ' HB2' HD12 ' A' ' 24' ' ' ILE . 3.0 tp10 -134.08 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 55.8 p -58.51 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.636 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -82.99 -43.72 0.87 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.96 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 3.6 mmt180 -36.18 -44.72 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 54.3 mt -67.51 -64.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 64.6 mt -41.09 -43.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.43 -48.79 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.41 -30.76 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.81 -37.07 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 32.9 m0 -60.67 -42.28 96.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 3.9 t-160 -72.84 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.586 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -41.24 -47.92 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.2 t -55.5 -63.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -52.83 -46.93 67.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -56.12 -37.89 70.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.32 10.42 22.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.49 31.27 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' OD1' ' A' ' 57' ' ' ASP . 48.0 mt -78.99 -29.31 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -39.77 142.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.18 135.33 22.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -49.55 -60.33 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 53' ' ' PHE . 20.2 t70 -116.88 118.74 36.11 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.35 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -80.65 -14.91 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.3 m-85 -112.6 177.66 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 11.0 p90 -160.31 151.18 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 68.2 m-80 -69.43 151.97 45.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.8 p -92.51 175.87 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 108.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.77 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.26 -177.27 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.14 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -113.49 -37.93 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.77 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.3 mt -73.83 -36.58 64.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.61 -53.75 54.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -46.56 -25.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.648 HG13 ' NE2' ' A' ' 81' ' ' HIS . 69.5 t -89.33 -71.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.62 ' CG ' HD13 ' A' ' 69' ' ' LEU . 44.7 m-85 -72.65 -65.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.05 16.37 21.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -116.53 163.01 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -66.88 -40.93 87.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -150.13 160.41 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -144.47 165.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 74' ' ' VAL . 8.5 mtpt -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.67 -17.77 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 p -96.1 -37.61 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.479 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 51.1 mmm -64.75 -22.61 67.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 70' ' ' LYS . 23.3 t -42.8 -40.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -41.87 79.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -68.61 -6.9 28.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.7 mmtt -113.26 -70.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.4 pp -39.98 -34.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.463 ' HA ' HD12 ' A' ' 82' ' ' LEU . 27.6 p -45.16 -55.04 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -30.36 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.648 ' NE2' HG13 ' A' ' 63' ' ' VAL . 99.0 m-70 -86.13 -35.64 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 78' ' ' ILE . 69.1 mt -54.02 109.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -113.7 161.9 25.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.91 7.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB3' HG12 ' A' ' 26' ' ' VAL . 20.6 mttp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -142.47 151.43 41.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.55 152.34 37.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -98.74 157.62 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 171.3 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.57 -40.02 92.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -78.82 -46.06 19.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' CG1' ' A' ' 63' ' ' VAL . 11.4 tp -57.7 -38.5 75.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 9.9 mtp -60.84 -43.67 97.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.16 -19.07 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 17' ' ' ALA . 39.5 t -68.74 -39.11 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -114.09 -60.34 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.18 33.38 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -113.56 -169.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -141.93 -44.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 11' ' ' LYS . 6.7 t -146.53 110.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.7 mt-10 -131.54 151.33 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 31' ' ' ARG . 7.3 p -62.7 157.85 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -47.35 -47.96 57.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.98 -31.55 6.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.54 1.81 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' N ' ' A' ' 28' ' ' THR . 6.0 mmt85 -65.87 -63.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 48.4 mt -37.49 -66.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 29' ' ' ARG . 25.3 mt -39.86 -61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -44.86 -48.97 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.657 ' C ' HD22 ' A' ' 22' ' ' LEU . . . -46.76 -35.37 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.725 HG12 HD21 ' A' ' 22' ' ' LEU . 89.7 mt -78.18 -35.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.486 ' NE1' HG22 ' A' ' 33' ' ' ILE . 33.7 m0 -61.14 -60.11 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -51.45 -52.48 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 46.5 t80 -51.77 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.76 HG13 ' HB2' ' A' ' 45' ' ' LEU . 70.7 t -49.52 -40.35 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -48.41 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.99 74.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -69.43 -6.88 33.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' GLN . 1.4 mmmp? 71.67 6.9 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.79 HD21 ' OD1' ' A' ' 57' ' ' ASP . 13.4 mt -47.79 -24.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LYS . 63.9 tt0 -40.72 138.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.7 140.31 31.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.79 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -68.58 -70.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 120.47 58.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.34 20.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -83.0 -35.86 25.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 68' ' ' LYS . 1.9 m-85 -85.88 178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 28.7 p90 -168.72 151.1 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.484 ' O ' HD13 ' A' ' 45' ' ' LEU . 22.3 m-80 -84.59 154.75 22.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.6 p -86.69 142.53 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.79 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.95 -51.39 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.46 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 -23.04 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' CD1' ' A' ' 45' ' ' LEU . 16.0 mt -70.02 -21.4 63.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -65.16 -66.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.662 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.9 t -75.03 -66.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.588 ' CG ' HD13 ' A' ' 69' ' ' LEU . 55.3 m-85 -86.89 -65.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 111.2 11.26 18.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.42 143.3 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mm-40 -47.5 -47.55 27.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -133.5 -177.78 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -168.46 170.38 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.0 mttt -92.83 143.81 25.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' SER . 5.4 m-85 -65.65 -19.36 65.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 p -91.72 -45.53 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 71.0 mmm -54.13 -27.32 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 78' ' ' ILE . 36.8 t -45.86 -26.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -71.48 -44.1 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 73' ' ' MET . 2.4 pt20 -90.44 26.84 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.859 ' HE3' HD21 ' A' ' 69' ' ' LEU . 18.8 mmtt -134.97 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -64.67 -34.87 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 82' ' ' LEU . 84.5 p -45.11 -56.14 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -27.38 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.3 m-70 -89.11 -33.71 16.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' A' ' 78' ' ' ILE . 86.8 mt -53.22 145.44 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.65 160.61 46.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 124.45 8.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' HG22 ' A' ' 28' ' ' THR . 7.1 mttm . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 82' ' ' LEU . 59.9 m-85 -125.14 134.27 52.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -70.91 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 24' ' ' ILE . 2.8 mp -72.32 166.51 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -95.04 178.07 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -64.04 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.6 -46.11 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 63' ' ' VAL . 3.1 tp -58.06 -46.93 84.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mtp -58.13 -15.23 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.5 -0.94 29.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.2 t -93.27 -54.05 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 35' ' ' ALA . 16.7 mt -100.04 -57.11 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.46 34.99 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.912 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.3 pt -119.55 158.86 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.774 ' HG3' HG12 ' A' ' 26' ' ' VAL . 2.0 pt-20 -98.43 -35.84 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -160.88 109.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.912 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.4 tp10 -121.4 179.04 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 67.2 p -81.1 -163.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.08 -43.6 0.76 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.05 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 88.4 mtt-85 -35.75 -45.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' THR . 41.1 mt -68.54 -63.37 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 58.4 mt -42.91 -47.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.89 -50.8 38.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.07 -28.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.36 -38.29 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -57.2 -40.19 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 107.95 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.69 -48.64 18.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.756 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.0 t80 -52.04 -55.57 19.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.32 -58.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.3 -34.33 72.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -50.75 -61.21 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.8 mpt_? -86.73 32.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.6 mmtt 39.47 46.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.955 HD11 ' OD2' ' A' ' 57' ' ' ASP . 40.0 mt -83.65 -35.11 24.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -39.75 143.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -97.41 133.8 23.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -49.89 -48.52 51.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -125.35 120.36 24.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.21 20.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -82.02 -37.26 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -92.23 172.75 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 13.3 p90 -158.94 152.4 22.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -68.84 151.06 47.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.8 p -91.96 -176.03 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.955 ' OD2' HD11 ' A' ' 45' ' ' LEU . 1.5 m-20 -145.32 -171.22 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.87 -9.94 59.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.0 -35.6 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 45' ' ' LEU . 13.3 mt -70.32 -28.66 65.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -67.73 -62.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.97 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' CD2' ' A' ' 81' ' ' HIS . 84.7 t -79.45 -67.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HE2' HD22 ' A' ' 60' ' ' LEU . 64.3 m-85 -83.36 -65.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 104.99 6.73 39.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' A' ' 66' ' ' GLU . 2.0 mp0 -108.85 134.14 51.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 15.1 pt-20 -40.3 -44.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -145.12 160.8 40.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.647 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -144.68 165.25 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.0 mttt -84.12 157.36 21.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 52' ' ' SER . 8.0 m-85 -77.14 -14.76 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -100.55 -36.12 9.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.546 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.7 mmm -62.03 -28.59 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.7 t -44.68 -30.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 p -67.86 -46.82 70.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' MET . 16.9 pt20 -90.24 29.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.647 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -135.93 -52.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.27 -31.03 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.7 p -47.33 -31.54 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -40.45 93.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.825 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.5 m-70 -74.86 -34.4 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 78' ' ' ILE . 28.3 mt -53.77 121.34 7.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -125.99 164.1 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.77 5.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.031 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' HA ' ' O ' ' A' ' 83' ' ' SER . 11.6 m-85 -134.73 130.68 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -59.81 174.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -125.74 159.2 32.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -104.49 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -39.08 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.837 ' HB1' ' HG3' ' A' ' 62' ' ' LYS . . . -73.84 -53.4 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -69.14 -28.8 66.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -64.55 -47.31 79.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.42 -26.74 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.8 t -69.79 -59.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -96.61 -68.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 124.81 35.19 0.65 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.711 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.5 pt -121.19 156.31 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -100.47 -34.66 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.519 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -156.47 117.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.711 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.8 tp10 -135.75 171.66 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 52.5 p -69.69 -169.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.1 ttp180 -82.58 -44.72 0.94 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -41.62 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.7 mmp_? -50.12 -49.82 50.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' THR . 50.8 mt -64.8 -65.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 94.8 mt -40.81 -45.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.94 -48.01 64.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -48.0 -26.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.79 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -88.56 -34.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.7 m0 -63.9 -52.36 60.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.0 OUTLIER -61.52 -63.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.794 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.3 t80 -39.63 -57.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 36' ' ' ILE . 32.2 t -41.43 -62.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -56.25 -33.2 65.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -53.21 -61.42 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.3 mpt_? -79.97 6.6 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.2 31.74 20.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD21 ' OD1' ' A' ' 57' ' ' ASP . 62.3 mt -69.67 -17.5 63.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -49.34 146.56 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.36 135.23 21.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -46.56 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -58.04 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.46 118.52 39.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.97 19.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' PHE . 67.5 m -86.27 -15.66 40.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -109.23 176.26 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 18.9 p90 -165.18 156.16 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.02 138.83 41.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.9 m -97.11 114.69 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.83 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.98 55.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -85.85 -59.62 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.562 HD12 HD13 ' A' ' 45' ' ' LEU . 23.7 mt -45.42 -26.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' ALA . 10.9 mt-30 -71.46 -48.53 48.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -53.61 -22.67 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.92 HG13 ' CD2' ' A' ' 81' ' ' HIS . 78.7 t -89.3 -70.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.624 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.3 m-85 -74.59 -65.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.37 -2.53 32.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.62 143.64 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -50.94 -42.01 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -139.83 168.03 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -156.28 165.65 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.7 mtpt -87.67 156.32 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' SER . 15.7 m-85 -76.87 -12.2 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -102.82 -36.79 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.5 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.1 mmm -61.71 -24.36 66.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 70' ' ' LYS . 54.7 t -47.69 -34.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t -65.88 -43.07 89.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.41 25.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.6 mmtt -135.69 -46.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.664 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -72.11 -29.04 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -47.24 -25.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -40.48 73.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.92 ' CD2' HG13 ' A' ' 63' ' ' VAL . 91.3 m-70 -75.84 -28.31 58.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 78' ' ' ILE . 26.6 mt -61.81 126.05 25.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -130.97 161.06 63.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD2' HD13 ' A' ' 82' ' ' LEU . 28.9 m-85 -125.39 142.45 51.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.09 174.66 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -124.72 146.85 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 170.97 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -58.7 -42.55 88.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -74.94 -47.4 29.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 14' ' ' LEU . 6.9 tp -53.55 -33.37 54.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.11 73.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 4.2 42.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 63' ' ' VAL . 47.3 t -96.8 -34.99 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.515 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.1 mt -127.8 -57.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 31.63 1.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -115.55 158.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 26' ' ' VAL . 13.9 pt-20 -109.0 -43.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' A' ' 13' ' ' LYS . 15.3 t -139.13 110.78 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.5 tp10 -133.84 177.5 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 80.6 p -86.31 -168.29 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -80.63 -43.73 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -51.03 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -42.13 -45.08 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 28' ' ' THR . 32.8 mt -70.43 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 34.0 mt -41.62 -42.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -71.71 -52.34 18.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -43.78 -32.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.9 mt -80.57 -42.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.1 m0 -51.85 -56.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 8.0 t60 -61.57 -65.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' HIS . 50.8 t80 -36.25 -51.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' ILE . 73.6 t -52.7 -58.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.02 -49.06 79.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -49.3 -39.95 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.14 24.36 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' LYS . 5.0 mttt 39.87 45.24 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.678 HD11 ' OD1' ' A' ' 57' ' ' ASP . 33.0 mt -88.52 -27.06 21.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -41.75 130.07 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -85.39 134.26 40.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -42.63 -41.87 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.32 126.45 8.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -48.9 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 7.2 m-85 -92.13 161.04 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CG ' HG11 ' A' ' 40' ' ' VAL . 7.5 p90 -145.47 146.85 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.506 ' O ' HD22 ' A' ' 45' ' ' LEU . 8.8 m-80 -64.0 155.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.8 p -92.83 132.49 36.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -73.28 -55.33 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.7 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.05 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' HE2' ' A' ' 64' ' ' PHE . 11.0 mt -77.76 -18.95 55.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -72.59 -65.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 21' ' ' VAL . 87.0 t -78.09 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.951 ' CG ' HD13 ' A' ' 69' ' ' LEU . 36.4 m-85 -91.25 -66.42 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 106.35 19.22 10.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLU . 2.4 mt-10 -120.09 134.01 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . 14.5 pt-20 -38.74 -44.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.1 pttm -145.26 153.64 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.951 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -133.79 160.99 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 mtpt -81.65 167.63 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.5 m-85 -96.41 -3.6 43.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.3 p -116.09 -30.55 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.597 ' SD ' HD21 ' A' ' 69' ' ' LEU . 2.4 ppp? -83.85 12.47 6.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 38.9 t -75.77 -35.48 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -23.7 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 73' ' ' MET . 4.4 pt20 -95.77 19.78 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HE3' HD11 ' A' ' 69' ' ' LEU . 10.0 mmtt -136.66 -55.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.926 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.3 pp -58.17 -37.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 p -38.68 -61.13 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -41.15 -46.22 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.54 ' HB3' HD22 ' A' ' 18' ' ' LEU . 98.6 m-70 -67.09 -42.95 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.8 mt -52.42 115.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -130.11 158.12 75.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -138.85 127.37 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -59.2 135.44 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.71 159.04 20.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.85 167.22 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -61.77 -41.61 97.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.77 -49.5 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 14' ' ' LEU . 6.8 tp -58.68 -42.11 87.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.65 -14.11 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -99.06 -15.81 18.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' ALA . 76.3 t -80.87 -53.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 24' ' ' ILE . 1.9 mt -94.33 -62.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.57 35.7 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.571 HD12 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -112.89 -170.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.71 -44.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -135.4 96.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -125.98 160.0 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 71.9 p -67.31 -165.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.1 ttm180 -82.84 -46.14 0.88 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.549 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 1.5 mmt180 -36.36 -38.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' THR . 62.5 mt -71.55 -62.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 30.4 mt -40.85 -44.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.88 -48.69 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.95 -29.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CD1' HG21 ' A' ' 78' ' ' ILE . 93.9 mt -84.58 -36.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.9 m0 -60.57 -43.67 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.75 -58.61 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -39.55 -49.24 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 19.5 t -54.58 -69.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -49.42 -43.39 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.51 74.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -94.73 16.87 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.27 31.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.922 HD21 ' OD1' ' A' ' 57' ' ' ASP . 28.1 mt -77.34 -27.52 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.8 tt0 -38.36 146.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.33 134.36 25.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.42 3.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -74.14 -56.24 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.06 117.41 50.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -18.28 18.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 10.8 p -82.62 -28.55 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 1.5 m-85 -100.49 173.0 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 6.3 p90 -162.36 149.71 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 45' ' ' LEU . 19.2 m-80 -71.56 149.02 46.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -91.65 138.31 31.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.922 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -81.3 -69.32 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . -179.54 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -83.15 -24.24 32.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.608 HD22 ' HE2' ' A' ' 64' ' ' PHE . 12.7 mt -72.45 -27.24 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -63.94 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -39.19 -30.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 61' ' ' GLN . 97.1 t -76.56 -62.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.907 ' CG ' HD13 ' A' ' 69' ' ' LEU . 47.2 m-85 -90.16 -65.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 107.1 26.76 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.15 143.74 50.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.68 -42.35 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 53' ' ' PHE . 2.4 pttm -140.33 163.81 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.907 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.4 159.27 44.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.4 mtpt -82.3 171.65 14.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 29.0 m-85 -99.53 -8.78 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.6 p -109.33 -29.51 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.584 ' SD ' HD21 ' A' ' 69' ' ' LEU . 1.9 ppp? -85.18 15.06 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 17.8 t -82.64 -29.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -27.59 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -97.46 25.05 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CE ' ' SD ' ' A' ' 73' ' ' MET . 10.0 mmtt -136.53 -52.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.831 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.7 pp -64.12 -34.19 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -40.7 -54.71 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -45.15 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ILE . 97.1 m-70 -68.3 -37.64 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.831 HD11 ' CD1' ' A' ' 78' ' ' ILE . 31.3 mt -56.99 124.59 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -134.86 161.61 62.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.78 8.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mttt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 83' ' ' SER . 12.4 m-85 -131.11 144.78 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 159.27 34.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -111.13 156.86 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -84.63 166.8 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.8 m -56.32 -43.35 78.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.06 -46.86 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 63' ' ' VAL . 4.8 tp -60.09 -27.29 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' SER . 25.5 mtp -73.51 -39.46 64.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.18 -11.04 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ALA . 71.1 t -80.14 -38.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.3 mt -115.7 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.55 36.08 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.2 pt -124.58 155.32 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.56 -23.78 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -149.69 104.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -131.86 175.73 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HD2' ' A' ' 31' ' ' ARG . 26.8 p -92.77 -173.36 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.7 ttm180 -81.66 -45.28 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -74.99 -8.78 20.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 76.7 mtt-85 -89.73 -50.41 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 82' ' ' LEU . 20.2 mt -62.01 -61.22 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 45.2 mt -39.88 -49.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -66.65 -51.14 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -43.94 -36.2 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.491 ' CD1' HG21 ' A' ' 78' ' ' ILE . 88.8 mt -77.06 -40.59 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.5 m0 -53.55 -46.25 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.94 -59.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -38.26 -56.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.925 HG13 ' HB2' ' A' ' 45' ' ' LEU . 77.3 t -53.62 -49.77 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -49.77 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.9 -59.32 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -11.94 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER 66.04 42.65 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.925 ' HB2' HG13 ' A' ' 40' ' ' VAL . 61.2 mt -86.15 -20.58 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -40.97 137.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' A' ' 49' ' ' ASN . 1.3 m120 -88.12 132.42 39.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 3.1 p-10 -59.4 -54.62 44.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.47 125.26 25.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.92 21.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 37.9 m -84.22 -25.46 29.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -106.56 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 p90 -163.49 151.83 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.3 150.39 49.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 67' ' ' GLU . 14.7 p -91.55 170.43 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.49 -176.06 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.0 -0.44 27.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -112.02 -47.86 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.4 mt -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.26 -57.98 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.88 -26.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 18' ' ' LEU . 87.4 t -87.76 -71.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 69' ' ' LEU . 39.1 m-85 -73.86 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.6 45.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.74 133.33 48.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 12.5 pt-20 -39.87 -41.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 2.6 pttm -140.27 176.0 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -162.6 152.78 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -74.28 171.96 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -98.56 -6.09 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -113.86 -25.16 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.581 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 2.4 ptm -84.03 -4.75 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 70' ' ' LYS . 4.6 t -53.54 -56.86 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' SER . 23.3 t -40.3 -64.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -42.35 -31.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 69' ' ' LEU . 36.7 mmtt -86.53 -79.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 79' ' ' SER . 2.6 pp -37.04 -38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 78' ' ' ILE . 60.7 p -38.85 -56.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -45.54 -48.75 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.605 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.1 m-70 -62.8 -41.21 99.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.1 mt -51.12 131.79 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -142.02 157.43 64.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.97 9.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.13 -58.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 109.95 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.68 137.89 51.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 -137.5 3.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -141.72 79.78 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.62 118.11 35.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.976 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.09 -132.72 21.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.8 m -53.5 156.03 4.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -167.23 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.444 1.76 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -122.73 132.73 54.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -123.83 146.76 48.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.59 135.87 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.46 128.61 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.85 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -75.69 154.07 36.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.8 p -82.31 165.59 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.86 -43.31 85.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.44 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 -46.29 27.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.519 HD13 ' CG1' ' A' ' 63' ' ' VAL . 8.9 tp -59.56 -32.3 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' SER . 24.7 mtm -73.87 -29.68 62.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -10.1 59.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG13 ' CE2' ' A' ' 39' ' ' TYR . 8.3 t -83.86 -52.07 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 HD13 HD11 ' A' ' 24' ' ' ILE . 1.5 mt -96.57 -63.47 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.15 35.49 0.88 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.85 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -111.98 -169.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -144.42 -44.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.2 t -138.03 105.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.4 tp10 -131.8 -179.35 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.515 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 60.8 p -89.9 -162.47 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.605 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.4 ttp180 -82.83 -45.51 0.89 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.02 -57.65 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' PRO . 83.4 mtt180 -35.51 -41.43 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 28' ' ' THR . 58.2 mt -71.39 -63.0 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.601 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 69.2 mt -43.85 -43.51 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -70.83 -47.8 57.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 31' ' ' ARG . . . -47.52 -30.07 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.749 ' O ' HG23 ' A' ' 40' ' ' VAL . 93.7 mt -82.85 -35.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.7 m0 -61.64 -50.66 71.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.013 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -63.63 -60.35 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HG13 ' A' ' 21' ' ' VAL . 49.8 t80 -43.05 -54.34 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.0 t -46.18 -63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 44' ' ' LYS . 25.4 mttt -55.89 -46.77 78.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.94 -44.12 40.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.93 23.71 2.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' LYS . 25.0 mtmt 41.4 47.04 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.153 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 57' ' ' ASP . 28.3 mt -91.26 -27.67 18.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -38.99 141.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.4 132.57 23.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -53.3 -46.71 69.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -128.72 119.2 20.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -10.7 21.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -90.53 -28.38 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 3.8 m-85 -99.54 161.17 13.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CB ' HG11 ' A' ' 40' ' ' VAL . 10.3 p90 -146.68 143.58 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -70.35 164.18 25.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.1 p -100.41 151.24 21.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 108.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.694 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -94.91 -50.41 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.14 -29.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.68 -19.02 21.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.561 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.3 mt -76.0 -25.4 55.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -66.75 -64.96 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -39.42 -30.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.3 t -74.41 -67.32 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' HE2' HD22 ' A' ' 60' ' ' LEU . 58.0 m-85 -85.27 -64.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 116.62 -6.43 18.36 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -99.66 145.29 27.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.06 -41.14 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.3 pttp -144.36 160.3 41.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.854 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -145.4 170.02 17.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 9.6 mttt -84.45 159.72 20.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 52' ' ' SER . 10.2 m-85 -79.12 -14.0 59.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.4 p -101.56 -40.12 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.591 ' HB2' HD23 ' A' ' 69' ' ' LEU . 4.6 mmt -55.2 -32.74 62.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.635 HG13 ' CG2' ' A' ' 78' ' ' ILE . 64.1 t -42.88 -37.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.434 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 5.6 t -60.57 -46.59 89.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' MET . 9.2 pt20 -90.6 26.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.854 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.0 mmtt -134.9 -50.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.862 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.03 -34.83 72.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' LEU . 73.6 p -41.37 -58.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -44.28 -42.97 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.81 -36.72 73.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.651 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.862 HD11 ' CD1' ' A' ' 78' ' ' ILE . 32.9 mt -57.03 136.35 56.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -141.35 161.8 50.86 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.98 9.66 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 167.47 26.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.3 m -118.84 111.91 19.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.0 172.41 16.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.03 42.87 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.43 166.91 25.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.0 m -145.43 -58.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m 61.22 159.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.771 . . . . 0.0 109.976 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -135.65 122.37 21.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.88 80.97 1.19 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.54 110.88 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 0.736 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.18 129.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.954 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.95 121.5 3.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.9 m -52.12 156.88 2.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.53 3.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.509 1.794 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' CG ' ' CZ ' ' A' ' 12' ' ' PHE . 15.1 pt-20 -114.32 -174.33 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -110.44 165.79 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' CZ ' ' CG ' ' A' ' 10' ' ' GLU . 55.0 m-85 -150.38 131.37 14.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -60.39 172.64 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 24' ' ' ILE . 1.9 mp -119.26 152.21 37.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -80.65 174.12 11.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.3 m -60.81 -32.0 71.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.888 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -86.6 -45.1 11.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD13 ' CG1' ' A' ' 63' ' ' VAL . 4.8 tp -64.03 -20.58 66.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 7.4 mtm -76.86 -36.32 56.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.82 0.4 57.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.5 t -86.5 -50.35 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.891 HD22 ' HB1' ' A' ' 35' ' ' ALA . 7.0 mt -106.15 -51.51 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.7 25.18 3.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.827 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.8 pt -116.49 155.47 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.572 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -105.3 -26.89 11.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.572 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.6 OUTLIER -160.79 110.88 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.827 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.9 tp10 -133.57 166.91 21.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 51.8 p -62.99 -170.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.5 ttp180 -81.36 -44.57 1.14 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.94 -50.65 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.3 mmp_? -41.34 -43.96 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 28' ' ' THR . 39.4 mt -68.25 -62.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.598 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 57.3 mt -42.46 -45.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.75 -50.31 65.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.891 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -45.5 -37.84 5.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.875 ' O ' HG23 ' A' ' 40' ' ' VAL . 60.1 mt -78.41 -34.92 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.598 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 22.8 m0 -59.47 -43.29 93.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 107.997 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.684 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 7.8 t-160 -75.79 -61.31 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 43' ' ' ARG . 64.7 t80 -36.89 -38.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 36' ' ' ILE . 76.7 t -68.19 -62.54 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -36.99 63.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.684 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -68.96 -40.16 79.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 0.8 OUTLIER -89.54 21.75 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.64 38.35 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.759 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.0 mt -85.63 -26.25 26.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -42.29 151.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.37 131.17 29.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -30.88 6.79 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.563 1.823 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -78.22 -65.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -97.54 113.4 63.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -9.85 21.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 58.0 m -94.72 -11.38 29.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -114.08 178.16 4.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HB2' HG11 ' A' ' 40' ' ' VAL . 16.1 p90 -167.41 156.87 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -74.86 132.77 41.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 58.5 m -97.28 102.43 14.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.257 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.759 ' OD1' HD21 ' A' ' 45' ' ' LEU . 13.6 m-20 -53.44 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.22 73.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.623 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -74.18 -65.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 HD13 ' A' ' 45' ' ' LEU . 52.8 mt -43.09 -28.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' ' C ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -65.64 -67.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -41.02 -29.58 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.508 ' CG1' HD13 ' A' ' 18' ' ' LEU . 79.4 t -77.26 -67.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.716 ' CG ' HD13 ' A' ' 69' ' ' LEU . 62.8 m-85 -77.05 -67.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.61 1.81 24.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -111.47 143.03 42.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 0.753 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.4 pt-20 -50.55 -44.42 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -137.7 158.67 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -144.69 167.68 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.7 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.1 mttt -87.97 155.09 20.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -73.92 -16.75 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.4 p -98.15 -43.25 7.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 110.361 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.505 ' HB2' HD23 ' A' ' 69' ' ' LEU . 66.4 mmm -53.62 -29.74 39.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 70' ' ' LYS . 68.9 t -43.4 -34.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -66.35 -45.43 80.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.3 OUTLIER -90.53 28.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.636 ' HE3' HD21 ' A' ' 69' ' ' LEU . 13.4 mmtt -135.86 -52.89 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.2 pp -67.3 -32.28 56.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.2 p -47.28 -33.1 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.601 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 78' ' ' ILE . 95.9 m-70 -80.07 -30.64 39.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.578 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 78' ' ' ILE . 37.1 mt -56.09 113.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.7 m -115.4 158.66 40.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 123.12 7.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 18.4 Cg_endo -74.99 146.03 32.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 18.5 Cg_endo -74.97 -63.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.81 -57.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.61 110.15 2.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.9 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.2 p -101.38 158.31 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.11 141.13 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.068 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.42 162.35 41.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.25 164.09 13.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.6 -101.89 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -103.91 -62.95 1.24 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 0.791 . . . . 0.0 110.026 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p 63.78 164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 -58.48 0.11 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.118 . . . . 0.0 110.987 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.78 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -95.89 144.4 27.77 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.348 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.78 ' HD2' HG12 ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.0 -169.73 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.54 1.81 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -124.13 135.09 53.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -124.29 149.74 46.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -131.82 159.5 38.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -87.17 145.35 26.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -97.6 146.23 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.2 170.13 16.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -63.21 -39.12 93.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.2 -48.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.003 HD23 HD23 ' A' ' 14' ' ' LEU . 7.9 tp -61.37 -42.26 98.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.11 -14.37 23.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.95 -6.96 25.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.716 HG22 ' HB1' ' A' ' 59' ' ' ALA . 38.7 t -87.32 -52.12 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' ' 35' ' ' ALA . 4.2 mt -100.49 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.5 35.2 0.94 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -111.15 -169.77 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -145.69 -45.04 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -139.76 98.77 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 2.9 tp10 -127.44 174.12 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 81.6 p -75.06 -166.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.594 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.3 ttm-85 -82.52 -46.0 0.93 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.0 -56.7 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.6 mmp_? -35.73 -39.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 110.316 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' ' O ' ' A' ' 28' ' ' THR . 54.3 mt -73.83 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 85.6 mt -44.37 -44.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.64 -50.25 52.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.87 -29.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.812 ' O ' HG23 ' A' ' 40' ' ' VAL . 95.7 mt -84.76 -40.28 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.0 m0 -56.44 -40.61 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.024 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 2.5 t-160 -73.28 -62.04 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.645 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -40.59 -43.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 36' ' ' ILE . 69.7 t -59.85 -56.25 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -34.87 76.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -63.98 -41.41 97.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -89.66 8.33 32.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mttp 55.08 35.21 24.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD13 HD12 ' A' ' 60' ' ' LEU . 44.6 mt -79.92 -27.82 39.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -41.49 143.82 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -97.36 132.31 25.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.15 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.05 -47.86 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -127.14 120.01 22.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.71 17.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.499 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -91.51 -41.19 10.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -85.96 177.6 7.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 47.6 p90 -165.83 155.96 12.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -71.67 143.57 49.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -115.17 105.92 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' OD1' HD21 ' A' ' 45' ' ' LEU . 2.1 m-20 -67.27 -171.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.15 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.716 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -68.26 -70.63 0.25 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.721 HD12 HD13 ' A' ' 45' ' ' LEU . 49.2 mt -42.92 -31.52 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.54 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -42.55 -29.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 18' ' ' LEU . 73.9 t -75.17 -69.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.798 ' CG ' HD13 ' A' ' 69' ' ' LEU . 50.2 m-85 -81.77 -64.51 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 109.99 18.91 8.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.59 143.5 50.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.34 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -46.11 -48.26 17.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 1.4 pttm -138.54 166.23 24.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -148.5 167.04 26.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 18.0 mttt -88.28 143.84 26.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' SER . 4.5 m-85 -62.08 -21.52 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.7 p -90.98 -43.41 9.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.66 ' HB2' HD23 ' A' ' 69' ' ' LEU . 21.9 mmt -52.05 -37.52 53.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 70' ' ' LYS . 83.2 t -41.94 -35.94 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 40.6 t -62.02 -51.37 68.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -91.06 31.45 1.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.725 ' HE3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -133.08 -46.42 0.85 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.873 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -66.3 -34.89 73.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' LEU . 53.7 p -41.49 -57.9 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -37.47 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.598 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.452 ' CD2' HG13 ' A' ' 63' ' ' VAL . 98.4 m-70 -77.36 -38.48 50.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.873 HD11 ' CD1' ' A' ' 78' ' ' ILE . 48.1 mt -53.6 138.27 34.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.36 156.52 76.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.66 8.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.44 14.51 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.31 5.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -77.28 135.05 38.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.98 -144.78 4.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 56.5 4.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.49 135.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 t 65.03 97.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.466 1.104 . . . . 0.0 111.019 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t 50.16 91.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.23 163.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.6 -93.64 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.17 -53.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 0.765 . . . . 0.0 109.985 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.82 77.46 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.41 170.6 2.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.3 m -51.06 154.39 2.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 167.16 27.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -119.22 131.22 55.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -83.65 157.73 22.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HD2' HD13 ' A' ' 82' ' ' LEU . 25.1 m-85 -118.36 133.9 55.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -63.57 135.3 56.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -85.05 153.88 22.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 165.39 21.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.7 m -59.65 -34.49 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -85.13 -44.72 12.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 63' ' ' VAL . 9.9 tp -62.7 -25.16 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' GLY . 23.1 mtm -78.05 -36.48 48.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.46 -15.12 58.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.93 HG23 ' O ' ' A' ' 17' ' ' ALA . 75.2 t -77.89 -39.44 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 35' ' ' ALA . 9.8 mt -110.62 -61.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 119.59 36.01 0.88 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -114.16 -170.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -143.88 -44.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -137.42 102.35 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.1 tp10 -132.67 171.89 13.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 61.5 p -81.32 -162.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.609 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.9 ttm180 -83.1 -44.68 0.86 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.6 Cg_endo -74.95 -57.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.011 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' PRO . 79.7 mtt-85 -35.63 -40.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 28' ' ' THR . 45.7 mt -73.62 -62.44 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.596 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 62.7 mt -42.62 -40.91 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.93 -48.54 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.58 -34.54 5.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.664 ' O ' HG23 ' A' ' 40' ' ' VAL . 69.3 mt -78.11 -35.79 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -59.92 -46.79 88.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 107.998 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 2.9 t-160 -70.55 -60.45 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.58 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -42.31 -52.53 4.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.4 t -50.0 -61.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 44' ' ' LYS . 13.3 mtpt -54.82 -50.34 68.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -50.8 -34.98 29.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 45' ' ' LEU . 1.1 mmp_? -95.43 26.41 3.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 41' ' ' LYS . 2.2 mmtt 41.5 29.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD21 ' OD1' ' A' ' 57' ' ' ASP . 38.2 mt -76.81 -31.7 57.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -41.5 132.89 2.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -74.18 132.72 79.02 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -34.98 3.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -78.74 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 47' ' ' ASN . 95.7 m-20 -99.54 113.37 64.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -13.77 21.29 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -88.13 -28.27 21.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.2 m-85 -98.97 -179.16 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 8.2 p90 -166.87 153.41 8.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.575 ' O ' HD22 ' A' ' 45' ' ' LEU . 4.1 m-80 -80.37 152.62 28.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -93.82 140.72 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.795 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.64 -69.55 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -177.62 -36.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.4 -22.24 30.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD22 ' HE2' ' A' ' 64' ' ' PHE . 16.8 mt -73.62 -22.4 60.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.59 -65.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -39.24 -30.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.8 t -76.27 -67.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.823 ' CG ' HD13 ' A' ' 69' ' ' LEU . 53.7 m-85 -79.58 -66.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 113.14 9.75 17.3 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -117.27 164.98 14.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.767 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 12.8 pt-20 -71.93 -40.32 68.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -142.76 155.14 44.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.901 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -140.94 169.85 16.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 74' ' ' VAL . 24.1 mttt -87.86 157.28 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 m-85 -76.79 -10.27 59.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.3 p -105.8 -40.43 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.472 ' HB2' HD23 ' A' ' 69' ' ' LEU . 59.5 mmm -55.04 -37.09 66.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.0 t -40.4 -36.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 m -58.42 -51.2 70.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER -89.77 31.05 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.901 ' HE3' HD21 ' A' ' 69' ' ' LEU . 20.1 mmtt -135.25 -48.21 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.701 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -71.62 -34.6 53.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.1 p -45.37 -47.8 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -50.51 -42.03 54.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.608 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 88.3 m-70 -71.85 -41.27 68.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD11 ' CD1' ' A' ' 78' ' ' ILE . 66.5 mt -48.46 144.5 4.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -152.81 162.41 26.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.41 9.31 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.19 14.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.798 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -51.1 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -41.31 129.88 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -102.4 -147.23 19.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 75.38 3.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.5 t -75.85 -59.75 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.5 p -143.64 132.11 22.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.027 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.19 85.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 0.801 . . . . 0.0 109.984 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 -58.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.64 -132.96 2.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.11 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.76 90.69 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -52.19 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.71 -88.17 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 13.3 p -148.62 141.22 15.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.05 178.77 6.84 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.43 -174.79 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -105.7 142.05 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 27' ' ' GLU . 25.8 m-85 -121.64 122.02 38.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -50.55 145.84 6.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -94.73 155.72 16.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.87 169.89 13.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.43 1.081 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.8 m -58.55 -49.23 78.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.99 -46.56 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.614 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.0 tp -56.95 -35.77 69.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLY . 18.4 mtm -69.57 -36.56 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -77.45 -12.28 59.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 17' ' ' ALA . 72.7 t -80.76 -41.63 19.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.679 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.9 mt -110.09 -61.53 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 118.94 34.62 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -112.18 -169.16 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -144.65 -45.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 t -136.62 100.11 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.8 tp10 -126.99 -177.33 4.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.522 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 67.8 p -92.7 -168.8 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.448 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 4.9 ttp180 -81.33 -45.24 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -75.01 -39.77 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.5 mmp_? -52.26 -50.59 61.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 28' ' ' THR . 60.5 mt -62.25 -63.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.6 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 71.6 mt -39.42 -48.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.02 -49.08 63.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -46.16 -30.9 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.92 -37.16 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.6 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.5 m0 -59.55 -47.39 85.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.047 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -67.48 -57.56 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.592 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 31.0 t80 -42.82 -57.99 2.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.0 t -41.07 -60.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -60.65 -32.91 72.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -52.43 -61.27 2.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.0 mpt_? -86.93 33.96 0.67 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.5 mptt 38.49 56.41 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.785 HD21 ' OD1' ' A' ' 57' ' ' ASP . 56.2 mt -93.57 -31.04 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -39.27 143.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.503 HD22 ' ND2' ' A' ' 55' ' ' ASN . 1.2 t-20 -99.49 137.43 20.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -52.32 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -44.24 -48.49 9.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -132.85 123.59 18.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.94 19.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.476 1.777 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' PHE . 1.9 t -78.3 -35.55 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.049 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.0 m-85 -94.18 169.36 10.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 7.7 p90 -154.61 147.79 24.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.503 ' ND2' HD22 ' A' ' 47' ' ' ASN . 59.9 m-80 -74.22 152.67 39.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.2 p -92.14 151.1 20.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.785 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -96.48 -49.49 5.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.11 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -92.54 -21.17 20.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.66 HD22 ' HE2' ' A' ' 64' ' ' PHE . 13.7 mt -74.94 -25.65 59.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.58 -65.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -30.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.614 ' CG1' HD13 ' A' ' 18' ' ' LEU . 80.1 t -74.57 -67.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.923 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.9 m-85 -84.29 -64.91 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.13 6.28 18.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -114.24 139.1 49.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.04 -40.23 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.465 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -141.33 161.82 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.923 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -147.43 163.79 35.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 74' ' ' VAL . 1.7 mtpt -82.68 161.54 22.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 10.7 m-85 -83.07 -14.97 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.7 p -100.81 -34.38 9.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.467 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 65.9 mmm -64.29 -25.6 68.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 70' ' ' LYS . 72.6 t -49.74 -32.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -63.21 -48.05 79.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.977 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -90.81 30.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.596 ' HE3' HD21 ' A' ' 69' ' ' LEU . 16.1 mmtt -136.34 -47.42 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.868 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.9 pp -68.0 -33.09 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 p -44.88 -51.8 9.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -49.2 -35.49 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ILE . 99.5 m-70 -81.61 -34.85 30.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.577 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.868 HD11 ' CD1' ' A' ' 78' ' ' ILE . 42.5 mt -55.6 128.2 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -146.75 165.96 17.95 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.1 Cg_endo -75.03 141.06 26.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.3 Cg_endo -74.96 173.59 14.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.35 5.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -45.85 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 t 68.32 66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.31 82.42 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -179.09 4.63 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.459 1.768 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m 61.83 134.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.8 m -106.26 84.79 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 m -125.14 167.39 14.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -163.81 -58.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.9 114.03 3.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.26 129.88 46.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.83 150.01 50.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.78 -144.28 17.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 13.2 p -80.11 141.26 54.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.3 Cg_endo -75.01 -175.72 2.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' HG2' ' CE1' ' A' ' 12' ' ' PHE . 6.7 tt0 -121.71 126.69 49.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 28' ' ' THR . 3.7 mttm -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.503 ' CE1' ' HG2' ' A' ' 10' ' ' GLU . 25.8 m-85 -129.98 129.02 43.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -57.93 152.18 16.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -98.94 150.64 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.19 168.9 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.6 m -59.82 -39.78 86.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.384 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.66 -45.27 17.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 63' ' ' VAL . 7.8 tp -60.03 -27.49 66.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.5 mtm -77.74 -22.73 49.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.65 -9.68 43.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 17' ' ' ALA . 54.4 t -85.76 -27.61 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.668 HD13 ' CB ' ' A' ' 35' ' ' ALA . 6.3 mt -124.14 -65.34 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.98 37.25 0.72 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.738 HD12 HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -112.87 -169.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -143.28 -44.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -140.06 104.47 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 1.2 tp10 -126.14 -161.13 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 32' ' ' ILE . 40.5 p -112.16 -162.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.612 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.6 ttp180 -81.37 -44.76 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.08 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.525 1.803 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' PRO . 89.0 mtt-85 -36.6 -46.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 28' ' ' THR . 54.2 mt -67.42 -63.73 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 89.6 mt -40.34 -44.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.75 -49.93 48.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -45.33 -27.53 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.576 ' O ' HG23 ' A' ' 40' ' ' VAL . 89.7 mt -87.2 -39.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 30.2 m0 -59.09 -52.28 66.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 108.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 1.8 t-160 -60.24 -64.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.62 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.502 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.6 t80 -38.38 -57.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.8 t -41.33 -68.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -55.48 -36.63 66.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -59.82 -33.24 71.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 39' ' ' TYR . 13.3 mmp_? -104.14 16.88 25.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp 47.76 41.71 14.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.926 HD21 ' OD1' ' A' ' 57' ' ' ASP . 40.3 mt -85.11 -27.92 25.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -38.91 144.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.282 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -104.47 131.22 22.08 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -41.93 -33.43 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -153.06 117.61 2.85 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -12.93 21.55 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -81.03 -14.09 58.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.992 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -116.83 176.39 5.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 19.9 p90 -162.24 145.42 11.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.37 155.95 31.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -90.08 159.29 16.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 108.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.926 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -103.82 -48.71 3.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 162.44 -29.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -96.32 -16.8 21.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.5 mt -78.4 -21.96 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -69.31 -63.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLN . 3.2 mmmt -39.6 -30.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.535 HG13 ' CD2' ' A' ' 81' ' ' HIS . 79.0 t -75.79 -68.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.745 ' CG ' HD13 ' A' ' 69' ' ' LEU . 37.0 m-85 -85.47 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 108.61 16.51 11.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -121.95 136.67 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -42.5 -45.62 4.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' CE ' ' CD1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -140.1 159.06 43.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.745 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -143.18 170.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.585 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.8 mttt -87.39 145.4 26.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -66.55 -19.22 65.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -91.86 -46.76 7.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.607 ' HB2' HD23 ' A' ' 69' ' ' LEU . 61.6 mmm -48.14 -35.2 11.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.579 HG13 ' CG2' ' A' ' 78' ' ' ILE . 57.9 t -39.83 -61.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.446 ' HA ' HD11 ' A' ' 33' ' ' ILE . 91.7 p -38.1 -49.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.449 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.3 tt0 -69.97 -55.99 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.706 ' HE3' HD11 ' A' ' 69' ' ' LEU . 28.5 mmtt -50.73 -69.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.807 HD12 ' HG ' ' A' ' 82' ' ' LEU . 2.0 pp -40.25 -39.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.0 OUTLIER -47.5 -48.8 27.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -54.63 -36.53 64.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.535 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.7 m-70 -80.22 -36.87 34.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.807 ' HG ' HD12 ' A' ' 78' ' ' ILE . 12.7 mt -52.48 120.92 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.05 156.3 66.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.8 7.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.17 14.96 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.443 1.76 . . . . 0.0 111.026 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 120.62 6.13 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -163.63 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.772 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.58 104.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.057 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.37 -173.53 42.5 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.549 1.815 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 t 59.7 91.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.95 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -131.33 138.73 49.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.977 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.61 161.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.021 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 t 60.93 114.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.83 -178.88 24.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.91 128.76 37.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.26 154.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.09 101.58 2.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 m -53.93 154.54 7.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.97 7.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -115.09 -174.56 2.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HG2' HG22 ' A' ' 28' ' ' THR . 8.9 mttt -119.91 141.68 49.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -121.37 137.26 54.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 3.3 tttm -64.14 138.67 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -83.44 158.11 22.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -83.46 165.74 18.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -57.79 -36.85 72.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -81.62 -45.63 15.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -60.13 -38.21 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.4 mtm -63.84 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -3.47 58.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG22 ' HB1' ' A' ' 59' ' ' ALA . 55.5 t -89.89 -27.95 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 HD13 HD11 ' A' ' 24' ' ' ILE . 1.4 mt -125.6 -57.19 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.48 35.53 1.08 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 22' ' ' LEU . 1.0 OUTLIER -116.42 -170.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.89 -43.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -155.8 101.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.42 166.79 11.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.544 HG22 ' HG2' ' A' ' 11' ' ' LYS . 10.3 p -71.57 157.71 37.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.599 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.3 ttm180 -52.4 -45.69 95.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 6.7 mmt180 -77.26 -56.21 4.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 49.6 mt -52.76 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.521 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 82.6 mt -41.77 -56.32 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -56.55 -50.55 71.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.237 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.567 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -42.8 -45.97 5.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.832 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.9 mt -71.21 -36.99 64.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.521 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 24.0 m0 -58.91 -52.33 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 12.4 t-160 -65.24 -61.06 2.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -38.81 -54.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.3 t -51.74 -56.81 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -51.82 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -92.05 14.64 15.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 mttp 45.69 38.66 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.722 ' HB2' HG13 ' A' ' 40' ' ' VAL . 38.8 mt -83.35 -25.08 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -40.41 146.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.43 129.71 31.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -30.41 7.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -68.22 -47.98 66.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -130.66 120.16 18.56 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -11.65 21.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.29 -28.65 27.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -101.37 172.47 6.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' HB2' HG11 ' A' ' 40' ' ' VAL . 19.7 p90 -156.35 156.09 33.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.3 140.74 43.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 64.1 m -107.29 108.89 20.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.665 ' OD1' HD21 ' A' ' 45' ' ' LEU . 16.0 m-20 -66.9 -174.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.3 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -75.07 -71.78 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.537 HD22 ' HE2' ' A' ' 64' ' ' PHE . 23.0 mt -41.69 -29.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 1.4 mt-30 -64.5 -63.96 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.67 -28.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 18' ' ' LEU . 73.6 t -79.72 -69.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CG ' HD13 ' A' ' 69' ' ' LEU . 58.1 m-85 -75.55 -65.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.056 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.94 9.89 21.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -115.46 167.58 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.8 -38.12 62.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -146.38 162.03 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -149.19 164.1 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.323 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.755 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.6 mttt -83.35 148.45 27.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.53 -15.49 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.8 p -97.91 -39.12 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 69.0 mmm -62.0 -28.47 69.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 70' ' ' LYS . 39.7 t -40.24 -63.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.448 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 70.8 p -40.37 -53.91 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -55.61 -43.18 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.594 ' HG3' HD21 ' A' ' 69' ' ' LEU . 29.0 mmtt -71.76 -70.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.828 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.5 pp -38.57 -32.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -45.24 -56.52 4.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -50.96 -30.91 16.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.59 ' CD2' HG13 ' A' ' 63' ' ' VAL . 89.3 m-70 -83.31 -30.76 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 78' ' ' ILE . 25.5 mt -60.4 111.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LYS . 1.7 m -123.06 161.08 46.73 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 124.82 8.89 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 110.98 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 172.31 16.61 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.479 1.778 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -60.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 56.5 p -147.11 -62.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -99.41 -159.64 29.03 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 84.67 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 72.4 m 45.31 89.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.27 132.68 10.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.52 1.137 . . . . 0.0 110.943 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t 64.69 109.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 0.737 . . . . 0.0 110.038 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 p -50.29 155.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.61 -124.84 0.78 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m 58.93 166.54 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -140.02 132.6 28.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.38 -59.38 0.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -53.82 156.16 5.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.06 17.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.802 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 6.3 pt-20 -110.54 119.59 39.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -47.6 157.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' CZ ' ' O ' ' A' ' 10' ' ' GLU . 21.7 m-85 -134.61 142.01 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -71.96 167.49 19.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD23 HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -116.59 151.42 36.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.368 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.8 169.56 17.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -56.49 -45.1 81.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -70.5 -48.72 54.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.623 HD13 ' CG1' ' A' ' 63' ' ' VAL . 6.3 tp -57.84 -39.16 77.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.7 mtp -65.74 -10.15 34.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.42 -0.68 20.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG22 ' HB1' ' A' ' 59' ' ' ALA . 49.5 t -91.51 -43.59 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD13 ' HB3' ' A' ' 35' ' ' ALA . 12.4 mt -113.63 -55.08 2.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.22 33.86 1.19 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.554 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.8 pt -120.54 158.42 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.472 0.748 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.525 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -109.91 -28.6 8.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -159.02 112.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.554 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -137.33 167.35 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 81.7 p -62.39 -166.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.632 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -83.92 -43.99 0.78 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.98 -56.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.477 1.777 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 9.7 mmp_? -36.37 -44.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 50.6 mt -68.35 -63.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.612 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 74.8 mt -45.0 -46.96 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -65.12 -49.47 69.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.718 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.34 -37.94 8.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.598 ' O ' HG23 ' A' ' 40' ' ' VAL . 58.6 mt -78.53 -32.65 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.612 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.0 m0 -61.94 -48.12 81.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.038 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -69.84 -45.94 66.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.636 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.72 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 41.3 t80 -52.15 -55.71 19.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.2 t -40.08 -59.1 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -59.98 -36.6 77.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -47.77 -62.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 10.7 mpt_? -86.27 32.26 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ARG . 1.0 OUTLIER 38.49 40.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD13 HD12 ' A' ' 60' ' ' LEU . 30.0 mt -76.65 -28.79 56.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -41.84 147.87 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.33 131.8 25.53 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.64 -58.72 6.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.39 119.33 40.29 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -16.29 20.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.479 1.779 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.8 t -86.58 -16.22 37.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.8 m-85 -109.81 179.81 4.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.2 p90 -168.41 156.48 8.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -76.45 136.1 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 24.1 m -102.05 105.58 16.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.562 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m-20 -57.32 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.47 -36.65 81.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.466 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -69.76 -68.5 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD12 HD13 ' A' ' 45' ' ' LEU . 77.5 mt -40.29 -34.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -61.37 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -40.26 -30.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.623 ' CG1' HD13 ' A' ' 18' ' ' LEU . 85.2 t -77.8 -67.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CG ' HD13 ' A' ' 69' ' ' LEU . 72.7 m-85 -76.85 -67.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 115.12 -1.09 22.64 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.89 137.72 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 0.731 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -46.98 -44.4 20.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -134.94 156.76 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.812 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.03 168.15 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.761 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.6 mttt -88.6 151.77 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 m-85 -72.86 -17.33 61.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 64.1 p -97.03 -41.14 8.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.483 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 76.9 mmm -57.99 -32.06 67.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 70' ' ' LYS . 55.7 t -41.76 -28.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 73' ' ' MET . 8.9 m -67.73 -51.61 47.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' MET . 10.3 pt20 -89.27 34.18 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.71 ' CE ' HD21 ' A' ' 69' ' ' LEU . 6.6 mmtt -136.03 -54.28 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.666 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -63.29 -26.93 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 82' ' ' LEU . 94.7 p -49.58 -49.57 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -49.48 -29.24 6.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.575 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.407 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 86.3 m-70 -88.61 -35.56 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.666 HD11 ' CD1' ' A' ' 78' ' ' ILE . 80.2 mt -51.8 129.78 27.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 m -130.59 159.13 72.38 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.16 8.41 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.47 14.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -51.38 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m 60.01 90.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.57 -86.16 1.22 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 82.48 2.0 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.75 84.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -152.37 81.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -173.33 -59.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.3 p -140.9 149.98 42.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.604 ' HA2' HG21 ' A' ' 8' ' ' VAL . . . -175.16 160.1 28.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.15 -59.98 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.766 . . . . 0.0 109.983 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 t -149.41 -70.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -37.77 -72.68 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.604 HG21 ' HA2' ' A' ' 4' ' ' GLY . 15.0 m -43.34 157.23 0.26 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 155.65 42.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.23 59.63 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' PHE . 6.9 mttp 53.73 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' LYS . 50.3 m-85 -162.83 144.56 10.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -76.78 149.35 36.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -100.16 153.11 19.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.9 m -82.43 169.58 16.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.6 m -57.98 -40.0 79.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.84 -46.55 24.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 HG13 ' A' ' 63' ' ' VAL . 5.7 tp -60.9 -30.98 70.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtp -72.01 -23.34 61.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.67 -1.4 40.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' ALA . 50.7 t -91.2 -36.63 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.4 mt -119.06 -57.57 2.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.8 33.26 1.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 14' ' ' LEU . 1.3 pt -116.92 164.35 13.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -121.83 -39.14 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.79 100.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CB ' ' A' ' 31' ' ' ARG . 2.4 tp10 -124.21 -159.45 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' HD12 ' A' ' 32' ' ' ILE . 79.5 p -111.38 -165.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.25 -44.9 1.16 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.4 Cg_endo -74.96 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.435 ' CB ' ' HG3' ' A' ' 27' ' ' GLU . 1.3 mmp_? -41.47 -51.97 3.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 28' ' ' THR . 57.8 mt -60.86 -63.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.602 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 87.7 mt -40.67 -50.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.35 -50.71 66.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.581 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.72 -34.21 2.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.722 ' O ' HG23 ' A' ' 40' ' ' VAL . 97.1 mt -82.92 -37.26 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 25.1 m0 -59.15 -54.19 49.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 107.975 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.695 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 4.4 t-160 -60.6 -67.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.599 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 43' ' ' ARG . 36.2 t80 -37.96 -56.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.3 t -43.51 -64.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -56.86 -49.07 76.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.695 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -52.9 -25.66 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 3.7 mmm180 -104.07 21.85 15.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 44.77 37.37 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 57' ' ' ASP . 24.7 mt -83.76 -31.52 25.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -38.82 141.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.46 131.05 39.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.33 4.64 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -74.94 -60.67 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.09 114.74 63.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.85 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -82.53 -15.67 51.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.2 m-85 -111.81 173.24 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 11.0 p90 -156.14 146.94 21.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.444 ' O ' HD22 ' A' ' 45' ' ' LEU . 6.4 m-80 -77.09 154.68 33.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.2 p -89.56 152.41 21.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.696 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 1.8 m-20 -95.91 -50.89 4.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.19 -29.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.9 -24.94 17.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.569 HD22 ' HE2' ' A' ' 64' ' ' PHE . 15.7 mt -70.24 -20.48 63.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.44 -65.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -39.83 -30.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.609 HG21 HG21 ' A' ' 21' ' ' VAL . 77.0 t -72.9 -64.15 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.7 ' CG ' HD13 ' A' ' 69' ' ' LEU . 26.4 m-85 -92.86 -63.39 1.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.78 1.25 25.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.54 150.03 24.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -55.73 -44.66 77.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.9 159.42 42.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.7 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -143.35 169.57 17.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.584 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 15.5 mttt -85.45 146.59 26.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 21.0 m-85 -70.74 -10.49 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.2 p -101.43 -45.64 5.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.479 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 53.5 mmm -50.22 -33.28 18.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.643 HG13 ' CG2' ' A' ' 78' ' ' ILE . 45.2 t -42.07 -59.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.53 ' HA ' HD11 ' A' ' 33' ' ' ILE . 2.5 t -38.49 -34.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' MET . 2.0 tt0 -85.37 -55.64 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.698 ' HE3' HD11 ' A' ' 69' ' ' LEU . 24.3 mmtt -51.22 -52.42 44.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.796 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -55.14 -38.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 p -50.85 -43.36 59.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -17.95 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -99.08 -36.07 9.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.579 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD11 ' CD1' ' A' ' 78' ' ' ILE . 19.5 mt -54.89 125.56 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 75.8 m -128.55 155.93 78.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 123.23 7.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.55 1.816 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.43 14.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.474 1.776 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.0 1.41 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.476 1.777 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 173.56 132.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 129.35 -109.23 0.95 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 178.07 7.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t 58.25 106.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.036 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 m 57.43 162.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.6 84.48 3.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -154.17 115.0 4.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.49 -139.34 10.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.92 113.45 12.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.78 . . . . 0.0 110.031 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -91.81 88.73 6.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.89 -120.57 7.39 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -56.97 155.02 16.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.29 16.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -114.79 122.81 47.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 2.9 mtpt -93.84 151.18 19.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' CE1' ' O ' ' A' ' 10' ' ' GLU . 5.1 m-85 -133.5 135.06 44.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 8.0 tttt -66.33 131.37 45.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 24' ' ' ILE . 3.5 mp -75.22 168.56 19.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.79 169.33 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.2 m -58.92 -30.43 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -88.29 -44.42 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.65 HD12 HG21 ' A' ' 63' ' ' VAL . 3.4 tp -62.62 -34.3 76.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HG3' ' CB ' ' A' ' 14' ' ' LEU . 10.3 mtp -66.46 -18.21 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.1 -20.29 13.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ALA . 69.1 t -71.55 -31.38 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.763 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -119.86 -60.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.87 35.63 0.88 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -120.06 174.56 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 7.3 tp10 -117.55 -35.49 3.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -166.24 104.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.0 OUTLIER -117.85 166.69 12.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 16.0 p -71.04 156.34 39.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 2.7 ttm180 -50.94 -46.08 87.7 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.99 -12.2 21.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.45 1.763 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.535 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 8.2 mmp_? -92.89 -52.6 4.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 53.5 mt -55.24 -57.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' CG2' ' NE1' ' A' ' 37' ' ' TRP . 62.1 mt -48.68 -58.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -51.22 -49.9 60.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.763 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -44.84 -32.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.904 ' O ' HG23 ' A' ' 40' ' ' VAL . 59.7 mt -82.89 -38.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' ALA . 27.0 m0 -60.99 -49.91 75.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 108.019 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.7 t-160 -62.26 -55.8 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.614 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.691 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.7 t80 -48.64 -55.33 11.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -42.11 -52.35 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -36.84 85.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -44.84 -60.19 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 3.2 mpt_? -86.75 22.13 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt 46.14 50.62 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.57 ' HB2' HG13 ' A' ' 40' ' ' VAL . 37.4 mt -84.92 -18.22 35.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -47.92 139.32 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 125.96 57.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -27.52 9.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -73.99 -55.38 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -114.42 114.31 45.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.61 20.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.63 -18.25 24.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.6 m-85 -110.03 177.73 4.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 35.4 p90 -159.0 148.05 18.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -65.73 157.71 29.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.7 p -103.96 166.22 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.868 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -130.62 -174.08 3.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.53 1.54 25.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.461 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -116.03 -44.55 2.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 ' OD1' ' A' ' 57' ' ' ASP . 13.7 mt -66.92 -29.11 68.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.3 mt-30 -64.48 -56.76 12.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.65 -28.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG13 ' NE2' ' A' ' 81' ' ' HIS . 77.0 t -79.14 -69.73 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.75 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -82.93 -63.12 1.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 103.67 8.84 39.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -106.32 149.85 26.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 0.784 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.51 -43.23 68.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -150.61 158.79 44.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -139.92 168.01 20.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 10.5 mttt -87.42 137.83 32.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 12.8 m-85 -58.79 -16.71 18.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 p -95.23 -46.08 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.494 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 46.0 mmm -50.18 -35.66 27.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 78' ' ' ILE . 53.7 t -39.29 -63.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 18.7 t -37.01 -44.14 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.82 -47.44 53.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.499 ' CE ' HD21 ' A' ' 69' ' ' LEU . 15.1 mmtt -63.96 -66.37 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.825 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.2 pp -39.85 -39.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.62 -52.01 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.7 -44.63 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.584 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.683 ' NE2' HG13 ' A' ' 63' ' ' VAL . 97.4 m-70 -70.67 -33.06 70.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.825 HD11 ' CD1' ' A' ' 78' ' ' ILE . 15.5 mt -58.81 116.54 3.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -129.56 162.84 50.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 123.19 7.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.8 15.66 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.461 1.769 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -135.42 -67.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -63.92 118.32 12.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 152.61 40.68 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.77 159.91 21.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.042 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.9 p -74.14 162.41 29.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -54.31 130.61 39.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.55 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.17 -131.82 1.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.3 170.32 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -69.62 158.54 35.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.64 -136.59 13.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.459 1.1 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -123.67 144.74 45.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.783 ' HD2' HG12 ' A' ' 8' ' ' VAL . 18.3 Cg_endo -75.06 -168.31 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.521 1.8 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' O ' ' CE1' ' A' ' 12' ' ' PHE . 3.4 tt0 -138.76 124.0 19.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -88.47 138.36 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.511 ' CE1' ' O ' ' A' ' 10' ' ' GLU . 35.3 m-85 -119.34 122.63 42.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -47.97 146.09 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD11 ' HB2' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -97.15 146.09 25.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.11 167.13 19.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -60.19 -36.43 77.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.362 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.828 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.79 -44.88 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.629 HD12 HG21 ' A' ' 63' ' ' VAL . 4.5 tp -61.17 -26.24 67.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.4 mtm -77.68 -40.19 42.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -73.92 -17.41 61.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 17' ' ' ALA . 49.6 t -72.0 -49.75 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 24' ' ' ILE . 6.1 mt -102.8 -61.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.3 35.92 0.84 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.527 HD12 ' HB2' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -112.71 -172.28 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -44.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.94 91.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -116.17 162.23 17.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 31' ' ' ARG . 22.5 p -80.93 -173.45 4.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.604 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 10.4 ttm180 -81.66 -45.48 1.08 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -9.1 20.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HD2' HG23 ' A' ' 28' ' ' THR . 72.0 mtt180 -87.73 -52.51 5.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' ILE . 42.7 mt -57.68 -62.02 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.547 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 72.5 mt -39.78 -54.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -61.04 -50.91 71.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.53 -42.53 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 40' ' ' VAL . 81.8 mt -74.13 -38.51 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 21.8 m0 -56.42 -35.44 67.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 5.4 t60 -80.37 -61.12 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.619 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -39.69 -40.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 36' ' ' ILE . 50.1 t -60.73 -65.72 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -55.57 -42.7 75.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.576 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -57.1 -47.46 81.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -83.83 6.48 21.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.33 51.76 15.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' HG13 ' A' ' 40' ' ' VAL . 83.0 mt -98.3 -27.44 14.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -41.46 133.23 2.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.257 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -78.0 128.59 78.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -15.58 20.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.52 -52.6 4.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -112.27 114.09 51.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.2 21.36 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -87.82 -20.71 25.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 3.1 m-85 -109.36 177.61 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 16.9 p90 -159.27 147.17 17.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -64.1 157.47 25.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 13.8 p -105.63 160.51 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 108.309 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.516 ' OD2' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -124.98 -174.02 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.5 1.96 17.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB3' ' OD2' ' A' ' 57' ' ' ASP . . . -110.71 -51.03 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD12 ' OD1' ' A' ' 57' ' ' ASP . 29.8 mt -62.19 -36.06 80.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -57.04 -52.07 66.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -50.32 -29.45 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.629 HG21 HD12 ' A' ' 18' ' ' LEU . 54.3 t -82.2 -72.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.52 ' CG ' HD13 ' A' ' 69' ' ' LEU . 56.5 m-85 -76.61 -64.61 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' C ' ' OE2' ' A' ' 66' ' ' GLU . . . 103.49 7.3 42.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' ' N ' ' A' ' 66' ' ' GLU . 2.2 mp0 -105.13 146.76 28.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -50.88 -43.5 59.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -150.36 158.13 43.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -139.8 168.77 19.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 11.8 mttt -86.78 145.15 26.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.421 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 20.3 m-85 -66.3 -14.33 61.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.6 p -98.39 -45.83 6.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.484 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 35.7 mmm -51.23 -32.13 23.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.62 HG13 ' CG2' ' A' ' 78' ' ' ILE . 55.0 t -39.08 -58.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.467 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . 86.2 p -43.64 -46.55 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.438 ' O ' ' CB ' ' A' ' 79' ' ' SER . 1.9 tt0 -66.22 -55.68 15.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.662 ' HG3' HD21 ' A' ' 69' ' ' LEU . 39.6 mmtt -57.68 -68.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.83 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.1 pp -38.45 -33.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -49.44 -50.72 39.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -54.62 -20.34 7.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.613 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.9 m-70 -95.43 -37.47 10.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.83 HD11 ' CD1' ' A' ' 78' ' ' ILE . 46.9 mt -54.58 114.78 1.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -134.11 164.48 43.72 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.01 140.37 25.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.2 Cg_endo -75.06 173.6 14.24 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.798 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.0 3.93 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.96 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -112.5 93.06 4.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.13 155.58 22.42 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 73.83 4.21 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.5 p -155.81 153.06 29.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.036 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 28.6 t -169.4 -58.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.087 . . . . 0.0 111.032 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -170.96 147.04 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.982 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -135.31 -56.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.69 130.03 8.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -161.48 133.07 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -101.25 -55.36 2.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.31 158.36 47.51 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.2 m -53.25 155.23 4.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -75.02 161.46 38.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.429 1.752 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 25.8 tt0 -38.27 115.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HB3' HG12 ' A' ' 26' ' ' VAL . 2.7 mtpt -85.61 154.35 21.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 10' ' ' GLU . 8.0 m-85 -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -65.59 167.01 9.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -113.66 156.69 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.6 m -86.4 160.96 18.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.2 m -53.77 -35.25 61.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -80.0 -47.03 15.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.598 HD23 HD23 ' A' ' 14' ' ' LEU . 9.4 tp -58.68 -36.51 74.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtp -67.67 -34.25 76.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.28 0.55 36.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 17' ' ' ALA . 23.7 t -98.49 -56.75 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -95.53 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.53 31.99 1.7 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 14' ' ' LEU . 1.1 pt -117.49 162.19 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' HG23 ' A' ' 26' ' ' VAL . 15.0 pt-20 -112.64 -42.91 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 13' ' ' LYS . 16.3 t -140.65 108.16 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.1 tp10 -131.09 171.74 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 71.9 p -74.22 -164.1 0.23 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.614 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.4 ttp180 -83.51 -45.21 0.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -56.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' PRO . 9.5 mmp_? -35.68 -41.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 28' ' ' THR . 56.4 mt -70.29 -61.9 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 66.4 mt -45.45 -48.07 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.01 -49.03 74.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.628 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.37 -36.52 6.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.602 HG13 HD21 ' A' ' 22' ' ' LEU . 80.5 mt -80.55 -32.72 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 28.0 m0 -62.83 -57.15 11.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 108.034 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 4.4 t-160 -59.5 -63.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.444 1.09 . . . . 0.0 109.636 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -38.75 -54.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 36' ' ' ILE . 14.2 t -52.18 -50.52 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -51.28 67.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -51.93 -35.54 46.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.45 19.47 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.98 34.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.603 HD11 ' CG ' ' A' ' 57' ' ' ASP . 16.3 mt -77.62 -29.6 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' LEU . 53.2 tt0 -38.66 141.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 55' ' ' ASN . 2.2 t-20 -96.87 134.66 22.77 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.543 1.812 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -51.98 -48.12 64.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -127.58 118.41 21.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -16.63 20.13 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -85.55 -17.07 37.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.022 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 2.2 m-85 -109.57 166.83 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 15.1 p90 -151.91 145.72 25.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' ND2' ' ND2' ' A' ' 47' ' ' ASN . 20.6 m-80 -77.27 155.15 32.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.59 156.79 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 108.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -100.71 -51.19 3.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.55 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.37 -24.12 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD22 ' HE2' ' A' ' 64' ' ' PHE . 17.2 mt -71.57 -23.02 61.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.07 -64.14 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' GLN . 2.8 mtpp -39.6 -30.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG13 ' CD2' ' A' ' 81' ' ' HIS . 77.1 t -75.8 -65.37 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.675 ' HE2' HD22 ' A' ' 60' ' ' LEU . 37.5 m-85 -89.54 -64.32 1.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 112.65 -4.79 26.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -99.61 144.44 28.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 0.745 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -51.55 -44.6 62.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -138.15 163.07 32.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.888 HD21 ' HE2' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -149.29 167.65 25.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.698 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.2 mttt -86.75 151.66 23.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' O ' ' NE1' ' A' ' 37' ' ' TRP . 16.7 m-85 -72.67 -20.05 61.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 p -93.68 -44.87 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.471 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 45.3 mmm -52.6 -35.42 54.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 70' ' ' LYS . 42.7 t -40.17 -55.79 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.448 ' OG ' ' NH2' ' A' ' 29' ' ' ARG . 47.3 t -37.45 -41.3 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 79' ' ' SER . 2.6 tt0 -75.42 -60.14 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.888 ' HE2' HD21 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.838 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.4 pp -47.1 -39.32 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 76' ' ' GLN . 1.1 p -46.88 -47.6 21.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -57.6 -28.94 64.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 63' ' ' VAL . 95.1 m-70 -87.31 -37.38 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.117 . . . . 0.0 109.628 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.838 HD11 ' CD1' ' A' ' 78' ' ' ILE . 13.4 mt -53.76 119.48 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.41 160.06 70.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 123.49 7.92 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.42 14.55 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.486 1.782 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 113.44 3.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.47 42.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.444 1.76 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.7 m -109.31 -57.56 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.97 170.83 30.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.8 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 63.9 p -77.57 82.31 4.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.5 p -132.41 142.44 49.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -94.83 147.73 23.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -154.37 162.38 41.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.32 156.52 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.81 104.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.3 -61.01 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.68 168.69 46.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.492 HG21 ' CE ' ' A' ' 11' ' ' LYS . 25.3 m -55.57 155.39 10.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 10' ' ' GLU . 18.3 Cg_endo -75.06 147.35 33.56 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 9' ' ' PRO . 25.8 tt0 -38.33 117.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' CE ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -106.69 -173.07 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CG ' ' HB3' ' A' ' 82' ' ' LEU . 6.6 m-85 -152.88 145.76 24.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' SER . 12.0 ttmt -74.87 149.18 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 ' CD2' HD12 ' A' ' 22' ' ' LEU . 3.0 mp -96.89 143.06 28.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 19' ' ' MET . 10.4 m -74.43 170.42 15.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.6 m -58.64 -26.76 64.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.89 -46.73 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 63' ' ' VAL . 3.8 tp -67.34 -22.46 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 15' ' ' SER . 7.9 mtm -77.46 -8.69 58.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.83 -2.18 13.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HB1' ' A' ' 59' ' ' ALA . 8.2 t -93.22 -24.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD12 ' CD2' ' A' ' 14' ' ' LEU . 4.4 mt -126.71 -56.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.96 10.3 8.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.816 HD12 ' HB2' ' A' ' 27' ' ' GLU . 3.6 pt -103.77 154.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.475 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -101.1 -24.2 14.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -167.38 122.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.816 ' HB2' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -141.18 161.45 37.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 32' ' ' ILE . 69.1 p -55.48 -164.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.631 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.9 ttp180 -84.09 -44.04 0.76 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -50.55 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' CD ' ' HG3' ' A' ' 27' ' ' GLU . 89.4 mtt-85 -42.3 -52.04 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 28' ' ' THR . 53.5 mt -60.12 -66.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.493 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 91.7 mt -40.99 -49.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -64.49 -48.04 76.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.825 ' O ' HG23 ' A' ' 40' ' ' VAL . 77.4 mt -86.11 -36.86 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.493 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.6 m0 -62.03 -49.71 74.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 108.006 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -63.29 -57.48 10.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.597 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 43' ' ' ARG . 45.6 t80 -46.92 -57.6 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 36' ' ' ILE . 72.6 t -45.55 -64.04 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -51.77 -53.75 36.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.51 -28.26 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 57' ' ' ASP . 8.0 mmm180 -101.99 21.45 14.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt 42.49 33.96 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.965 HD21 ' OD1' ' A' ' 57' ' ' ASP . 34.3 mt -81.46 -16.02 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -51.87 149.95 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.403 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 2.1 m120 -102.29 127.32 30.91 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.372 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -32.95 4.98 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -69.72 -59.31 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -111.5 114.94 52.34 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -17.39 19.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.564 1.823 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -86.03 -12.37 50.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -112.2 176.91 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 51.5 p90 -160.92 154.16 21.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' ND2' ' OD1' ' A' ' 47' ' ' ASN . 4.5 m-80 -76.92 137.54 39.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.2 m -100.43 117.38 34.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.965 ' OD1' HD21 ' A' ' 45' ' ' LEU . 27.3 m-20 -71.34 -175.25 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.36 -30.69 70.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -79.17 -59.75 2.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.614 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.9 mt -47.66 -25.05 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -67.25 -66.9 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -39.97 -29.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD2' ' A' ' 81' ' ' HIS . 72.0 t -75.14 -68.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.588 ' CG ' HD13 ' A' ' 69' ' ' LEU . 49.3 m-85 -80.8 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 110.02 8.96 25.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -116.34 159.83 21.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.58 -48.46 79.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 2.8 pttm -138.53 163.61 31.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.588 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -147.34 165.35 30.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.57 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 1.6 mttt -85.13 133.38 34.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 54' ' ' PHE . 10.5 m-85 -55.46 -20.07 11.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.8 p -90.87 -47.01 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.491 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 74.3 mmm -56.89 -23.27 43.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 78' ' ' ILE . 11.5 t -39.71 -57.52 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.411 ' HA ' ' CG1' ' A' ' 78' ' ' ILE . 2.8 t -47.86 -54.78 11.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -56.95 -18.98 15.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.551 ' HG3' HD21 ' A' ' 69' ' ' LEU . 13.5 mmtt -95.08 -72.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.891 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.7 pp -38.78 -41.23 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.473 ' N ' HD12 ' A' ' 78' ' ' ILE . 39.4 m -45.25 -47.69 12.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.974 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . 6.8 t60 -51.82 -32.96 33.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.626 ' CD2' HG13 ' A' ' 63' ' ' VAL . 93.6 m-70 -87.4 -36.91 17.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.663 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 78' ' ' ILE . 44.6 mt -48.03 119.38 2.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 1.2 m -131.04 163.6 48.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.64 8.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.812 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.96 15.33 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.47 3.8 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.33 104.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.84 -144.33 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.19 23.91 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 t -45.34 113.82 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -62.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -101.64 98.12 8.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 0.791 . . . . 0.0 110.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.34 84.32 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.095 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.0 87.31 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 t -174.09 156.03 2.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.63 85.77 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.33 -63.35 0.28 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG12 ' HD2' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -123.44 144.6 44.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.367 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.782 ' HD2' HG12 ' A' ' 8' ' ' VAL . 18.3 Cg_endo -74.98 178.87 6.68 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' O ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pt-20 -110.74 120.61 42.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -72.2 163.33 28.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' O ' ' A' ' 10' ' ' GLU . 61.4 m-85 -138.14 133.09 32.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 25' ' ' GLU . 2.5 mttm -60.61 169.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.36 158.75 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 19' ' ' MET . 3.9 p -85.46 168.57 14.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -58.63 -35.07 71.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.366 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.998 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -82.03 -46.19 14.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 HG21 ' A' ' 63' ' ' VAL . 4.3 tp -62.84 -26.68 68.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 15' ' ' SER . 21.8 mtp -74.58 -32.09 62.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.56 0.19 57.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.4 t -92.84 -50.24 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD22 ' HB1' ' A' ' 35' ' ' ALA . 8.1 mt -102.51 -56.25 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.44 34.24 1.34 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.695 HD12 ' HB2' ' A' ' 27' ' ' GLU . 2.3 pt -124.47 156.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.596 ' C ' HG12 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -107.78 -25.73 11.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.596 HG12 ' C ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER -162.42 111.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.695 ' HB2' HD12 ' A' ' 24' ' ' ILE . 3.0 tp10 -134.08 163.98 28.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.25 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 55.8 p -58.51 -170.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.636 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -82.99 -43.72 0.87 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.96 -56.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 3.6 mmt180 -36.18 -44.72 0.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 27' ' ' GLU . 54.3 mt -67.51 -64.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 64.6 mt -41.09 -43.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.43 -48.79 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.41 -30.76 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -82.81 -37.07 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 32.9 m0 -60.67 -42.28 96.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.5 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 3.9 t-160 -72.84 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.586 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -41.24 -47.92 3.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.2 t -55.5 -63.84 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -52.83 -46.93 67.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -56.12 -37.89 70.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.32 10.42 22.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.49 31.27 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' OD1' ' A' ' 57' ' ' ASP . 48.0 mt -78.99 -29.31 43.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -39.77 142.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -96.18 135.33 22.7 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -47.65 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -49.55 -60.33 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 53' ' ' PHE . 20.2 t70 -116.88 118.74 36.11 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.35 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -80.65 -14.91 57.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.3 m-85 -112.6 177.66 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 11.0 p90 -160.31 151.18 18.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 45' ' ' LEU . 68.2 m-80 -69.43 151.97 45.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.8 p -92.51 175.87 6.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.408 1.067 . . . . 0.0 108.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.77 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.26 -177.27 5.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.08 -0.14 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -113.49 -37.93 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.77 HD12 ' OD1' ' A' ' 57' ' ' ASP . 15.3 mt -73.83 -36.58 64.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.61 -53.75 54.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -46.56 -25.65 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.648 HG13 ' NE2' ' A' ' 81' ' ' HIS . 69.5 t -89.33 -71.24 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.62 ' CG ' HD13 ' A' ' 69' ' ' LEU . 44.7 m-85 -72.65 -65.93 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.05 16.37 21.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -116.53 163.01 16.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -66.88 -40.93 87.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.476 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.8 OUTLIER -150.13 160.41 43.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -144.47 165.19 28.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 74' ' ' VAL . 8.5 mtpt -85.41 151.79 23.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -71.67 -17.77 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 p -96.1 -37.61 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.393 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.479 ' HG3' ' CD ' ' A' ' 70' ' ' LYS . 51.1 mmm -64.75 -22.61 67.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 70' ' ' LYS . 23.3 t -42.8 -40.37 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.6 t -68.37 -41.87 79.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 73' ' ' MET . 0.2 OUTLIER -68.61 -6.9 28.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.256 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HG3' HD21 ' A' ' 69' ' ' LEU . 11.7 mmtt -113.26 -70.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.795 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.4 pp -39.98 -34.84 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.463 ' HA ' HD12 ' A' ' 82' ' ' LEU . 27.6 p -45.16 -55.04 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.049 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -30.36 2.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.648 ' NE2' HG13 ' A' ' 63' ' ' VAL . 99.0 m-70 -86.13 -35.64 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.625 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.795 HD11 ' CD1' ' A' ' 78' ' ' ILE . 69.1 mt -54.02 109.74 0.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -113.7 161.9 25.27 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.003 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.91 7.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.47 14.46 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.002 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.5 3.81 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 176.98 9.19 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.17 133.29 47.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.97 112.67 3.62 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 71.98 4.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.558 1.82 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.18 130.86 10.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.3 t -65.57 126.33 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -151.35 -58.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 p -99.55 162.83 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.9 -167.92 15.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.76 80.6 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -61.67 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.17 -159.65 26.67 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 12.1 p -127.59 141.35 40.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.06 165.88 30.3 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -113.56 -174.58 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HB3' HG12 ' A' ' 26' ' ' VAL . 20.6 mttp -125.81 160.22 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -142.47 151.43 41.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.95 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.55 152.34 37.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -98.74 157.62 16.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.89 171.3 15.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -65.57 -40.02 92.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.945 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -78.82 -46.06 19.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' CG1' ' A' ' 63' ' ' VAL . 11.4 tp -57.7 -38.5 75.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLY . 9.9 mtp -60.84 -43.67 97.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.16 -19.07 51.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 17' ' ' ALA . 39.5 t -68.74 -39.11 79.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.727 HD13 HD11 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -114.09 -60.34 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 120.18 33.38 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.727 HD11 HD13 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -113.56 -169.12 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -141.93 -44.36 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 11' ' ' LYS . 6.7 t -146.53 110.1 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.7 mt-10 -131.54 151.33 51.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 31' ' ' ARG . 7.3 p -62.7 157.85 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.43 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -47.35 -47.96 57.05 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.2 Cg_endo -74.98 -31.55 6.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.54 1.81 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' HB2' ' N ' ' A' ' 28' ' ' THR . 6.0 mmt85 -65.87 -63.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.614 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 48.4 mt -37.49 -66.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 ' O ' ' A' ' 29' ' ' ARG . 25.3 mt -39.86 -61.94 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -44.86 -48.97 11.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.657 ' C ' HD22 ' A' ' 22' ' ' LEU . . . -46.76 -35.37 6.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.725 HG12 HD21 ' A' ' 22' ' ' LEU . 89.7 mt -78.18 -35.04 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.486 ' NE1' HG22 ' A' ' 33' ' ' ILE . 33.7 m0 -61.14 -60.11 4.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.04 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -51.45 -52.48 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.605 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 46.5 t80 -51.77 -61.28 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG13 ' HB2' ' A' ' 45' ' ' LEU . 70.7 t -49.52 -40.35 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -48.41 66.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.99 74.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD3' ' CE1' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -69.43 -6.88 33.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' N ' ' A' ' 46' ' ' GLN . 1.4 mmmp? 71.67 6.9 5.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.79 HD21 ' OD1' ' A' ' 57' ' ' ASP . 13.4 mt -47.79 -24.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 44' ' ' LYS . 63.9 tt0 -40.72 138.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -87.7 140.31 31.49 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.79 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -68.58 -70.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -98.62 120.47 58.98 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -15.34 20.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 111.056 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.487 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -83.0 -35.86 25.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 68' ' ' LYS . 1.9 m-85 -85.88 178.72 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 28.7 p90 -168.72 151.1 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.484 ' O ' HD13 ' A' ' 45' ' ' LEU . 22.3 m-80 -84.59 154.75 22.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.6 p -86.69 142.53 28.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 108.35 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.79 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -82.95 -51.39 7.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.46 -29.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.76 -23.04 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD12 ' CD1' ' A' ' 45' ' ' LEU . 16.0 mt -70.02 -21.4 63.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -65.16 -66.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.71 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.662 ' CG1' HD13 ' A' ' 18' ' ' LEU . 92.9 t -75.03 -66.36 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.588 ' CG ' HD13 ' A' ' 69' ' ' LEU . 55.3 m-85 -86.89 -65.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 111.2 11.26 18.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.42 143.3 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' NE2' ' A' ' 61' ' ' GLN . 2.4 mm-40 -47.5 -47.55 27.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.576 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -133.5 -177.78 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.859 HD21 ' HE3' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -168.46 170.38 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 12.0 mttt -92.83 143.81 25.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 52' ' ' SER . 5.4 m-85 -65.65 -19.36 65.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.5 p -91.72 -45.53 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 70' ' ' LYS . 71.0 mmm -54.13 -27.32 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 78' ' ' ILE . 36.8 t -45.86 -26.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.5 p -71.48 -44.1 65.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 73' ' ' MET . 2.4 pt20 -90.44 26.84 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.859 ' HE3' HD21 ' A' ' 69' ' ' LEU . 18.8 mmtt -134.97 -46.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -64.67 -34.87 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.583 ' HA ' HD12 ' A' ' 82' ' ' LEU . 84.5 p -45.11 -56.14 5.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -27.38 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.441 ' NE2' ' O ' ' A' ' 63' ' ' VAL . 99.3 m-70 -89.11 -33.71 16.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.595 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD11 ' CD1' ' A' ' 78' ' ' ILE . 86.8 mt -53.22 145.44 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.65 160.61 46.97 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 124.45 8.67 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.485 1.781 . . . . 0.0 111.003 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 173.21 14.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.41 5.26 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.63 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.535 1.808 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.95 104.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.92 94.52 2.24 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.15 42.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.3 p -160.46 89.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.7 m -111.55 -58.75 2.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -157.59 -57.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.05 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -48.33 119.35 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.89 95.23 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -137.99 130.92 29.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.025 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.9 p -115.65 124.79 51.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.9 -74.18 0.44 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -51.38 156.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 154.07 42.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.37 130.75 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' HG22 ' A' ' 28' ' ' THR . 7.1 mttm -77.95 151.79 33.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' A' ' 82' ' ' LEU . 59.9 m-85 -125.14 134.27 52.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -70.91 127.89 34.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 24' ' ' ILE . 2.8 mp -72.32 166.51 22.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 m -95.04 178.07 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.8 m -64.04 -33.3 75.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.65 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -83.6 -46.11 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 HG21 ' A' ' 63' ' ' VAL . 3.1 tp -58.06 -46.93 84.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.1 mtp -58.13 -15.23 8.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.5 -0.94 29.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 17' ' ' ALA . 78.2 t -93.27 -54.05 7.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 35' ' ' ALA . 16.7 mt -100.04 -57.11 2.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.46 34.99 1.04 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.912 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.3 pt -119.55 158.86 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.774 ' HG3' HG12 ' A' ' 26' ' ' VAL . 2.0 pt-20 -98.43 -35.84 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -160.88 109.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.912 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.4 tp10 -121.4 179.04 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 67.2 p -81.1 -163.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.629 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.08 -43.6 0.76 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -75.05 -58.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 88.4 mtt-85 -35.75 -45.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 28' ' ' THR . 41.1 mt -68.54 -63.37 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.617 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 58.4 mt -42.91 -47.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -69.89 -50.8 38.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB3' HD13 ' A' ' 22' ' ' LEU . . . -46.07 -28.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -85.36 -38.29 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.0 m0 -57.2 -40.19 76.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 107.95 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.69 -48.64 18.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.756 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 44.0 t80 -52.04 -55.57 19.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.9 t -41.32 -58.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.3 -34.33 72.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -50.75 -61.21 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.8 mpt_? -86.73 32.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 43' ' ' ARG . 3.6 mmtt 39.47 46.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.955 HD11 ' OD2' ' A' ' 57' ' ' ASP . 40.0 mt -83.65 -35.11 24.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -39.75 143.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -97.41 133.8 23.36 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -49.89 -48.52 51.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -125.35 120.36 24.92 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.21 20.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.435 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -82.02 -37.26 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 2.7 m-85 -92.23 172.75 8.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 13.3 p90 -158.94 152.4 22.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -68.84 151.06 47.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.8 p -91.96 -176.03 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 108.327 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.955 ' OD2' HD11 ' A' ' 45' ' ' LEU . 1.5 m-20 -145.32 -171.22 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.87 -9.94 59.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.0 -35.6 5.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.847 HD12 HD13 ' A' ' 45' ' ' LEU . 13.3 mt -70.32 -28.66 65.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -67.73 -62.75 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.328 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.97 -30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.825 HG13 ' CD2' ' A' ' 81' ' ' HIS . 84.7 t -79.45 -67.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.653 ' HE2' HD22 ' A' ' 60' ' ' LEU . 64.3 m-85 -83.36 -65.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 104.99 6.73 39.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' N ' ' OE2' ' A' ' 66' ' ' GLU . 2.0 mp0 -108.85 134.14 51.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 110.327 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 15.1 pt-20 -40.3 -44.11 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.491 ' HE3' ' CG ' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -145.12 160.8 40.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.647 HD21 ' HG3' ' A' ' 77' ' ' LYS . 0.2 OUTLIER -144.68 165.25 28.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.684 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.0 mttt -84.12 157.36 21.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.435 ' CD2' ' O ' ' A' ' 52' ' ' SER . 8.0 m-85 -77.14 -14.76 59.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -100.55 -36.12 9.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.546 ' HB2' HD23 ' A' ' 69' ' ' LEU . 54.7 mmm -62.03 -28.59 69.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 70' ' ' LYS . 53.7 t -44.68 -30.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 p -67.86 -46.82 70.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.969 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' MET . 16.9 pt20 -90.24 29.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.647 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.1 mmtt -135.93 -52.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.599 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -67.27 -31.03 51.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.7 p -47.33 -31.54 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -40.45 93.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.825 ' CD2' HG13 ' A' ' 63' ' ' VAL . 96.5 m-70 -74.86 -34.4 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.559 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.599 HD11 ' CD1' ' A' ' 78' ' ' ILE . 28.3 mt -53.77 121.34 7.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -125.99 164.1 35.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.048 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.77 5.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 172.04 17.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.49 3.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.544 1.812 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.67 5.74 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 83.22 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.95 177.29 40.52 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.165 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 86.05 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.87 148.21 28.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.38 109.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.32 -59.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.31 112.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.21 133.88 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -45.14 140.24 2.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.81 88.54 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.25 -111.91 4.04 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 12.1 p -142.33 141.37 20.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.0 159.72 41.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' O ' ' CZ ' ' A' ' 12' ' ' PHE . 1.7 pt-20 -107.0 119.58 39.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -40.1 152.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CZ ' ' O ' ' A' ' 10' ' ' GLU . 11.6 m-85 -134.73 130.68 36.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' CE ' ' HD3' ' A' ' 86' ' ' PRO . 10.7 mttm -59.81 174.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD23 ' HB3' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -125.74 159.2 32.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -104.49 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -39.08 -28.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.837 ' HB1' ' HG3' ' A' ' 62' ' ' LYS . . . -73.84 -53.4 10.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD13 HG11 ' A' ' 63' ' ' VAL . 8.5 tp -69.14 -28.8 66.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -64.55 -47.31 79.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.42 -26.74 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.8 t -69.79 -59.18 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD22 ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -96.61 -68.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' MET . . . 124.81 35.19 0.65 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.711 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.5 pt -121.19 156.31 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG3' ' CG1' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -100.47 -34.66 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.519 ' CG1' ' HG3' ' A' ' 25' ' ' GLU . 0.3 OUTLIER -156.47 117.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.711 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.8 tp10 -135.75 171.66 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 52.5 p -69.69 -169.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.618 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 7.1 ttp180 -82.58 -44.72 0.94 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.618 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.98 -41.62 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 2.7 mmp_? -50.12 -49.82 50.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' THR . 50.8 mt -64.8 -65.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 94.8 mt -40.81 -45.28 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.94 -48.01 64.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.58 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -48.0 -26.18 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.79 ' O ' HG23 ' A' ' 40' ' ' VAL . 96.6 mt -88.56 -34.32 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.606 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 33.7 m0 -63.9 -52.36 60.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 1.0 OUTLIER -61.52 -63.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.794 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 43.3 t80 -39.63 -57.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.79 HG23 ' O ' ' A' ' 36' ' ' ILE . 32.2 t -41.43 -62.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -56.25 -33.2 65.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 39' ' ' TYR . . . -53.21 -61.42 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 43' ' ' ARG . 2.3 mpt_? -79.97 6.6 10.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.2 31.74 20.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD21 ' OD1' ' A' ' 57' ' ' ASP . 62.3 mt -69.67 -17.5 63.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -49.34 146.56 3.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.36 135.23 21.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -46.56 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -58.04 7.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -115.46 118.52 39.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.257 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.97 19.94 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' PHE . 67.5 m -86.27 -15.66 40.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 70' ' ' LYS . 1.9 m-85 -109.23 176.26 5.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 18.9 p90 -165.18 156.16 14.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -76.02 138.83 41.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.9 m -97.11 114.69 26.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.83 -164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.01 -23.98 55.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 61' ' ' GLN . . . -85.85 -59.62 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.562 HD12 HD13 ' A' ' 45' ' ' LEU . 23.7 mt -45.42 -26.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 59' ' ' ALA . 10.9 mt-30 -71.46 -48.53 48.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.837 ' HG3' ' HB1' ' A' ' 17' ' ' ALA . 0.7 OUTLIER -53.61 -22.67 9.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.92 HG13 ' CD2' ' A' ' 81' ' ' HIS . 78.7 t -89.3 -70.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.624 ' CG ' HD13 ' A' ' 69' ' ' LEU . 61.3 m-85 -74.59 -65.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.37 -2.53 32.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -101.62 143.64 31.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' HG3' ' CG ' ' A' ' 68' ' ' LYS . 11.7 pt-20 -50.94 -42.01 59.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -139.83 168.03 20.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -156.28 165.65 35.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.7 mtpt -87.67 156.32 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 52' ' ' SER . 15.7 m-85 -76.87 -12.2 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.7 p -102.82 -36.79 8.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.5 ' HB2' HD23 ' A' ' 69' ' ' LEU . 48.1 mmm -61.71 -24.36 66.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 70' ' ' LYS . 54.7 t -47.69 -34.67 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.5 t -65.88 -43.07 89.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.41 25.19 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 110.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.533 ' HG3' HD21 ' A' ' 69' ' ' LEU . 17.6 mmtt -135.69 -46.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.664 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.5 pp -72.11 -29.04 31.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.9 p -47.24 -25.66 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -40.48 73.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.568 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.92 ' CD2' HG13 ' A' ' 63' ' ' VAL . 91.3 m-70 -75.84 -28.31 58.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD11 ' CD1' ' A' ' 78' ' ' ILE . 26.6 mt -61.81 126.05 25.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -130.97 161.06 63.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 120.3 6.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.84 15.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.438 ' HD3' ' CE ' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.02 120.69 6.17 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -178.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.66 67.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 135.54 98.34 0.56 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 154.13 42.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.39 166.07 22.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.0 t -161.08 170.64 20.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t 61.03 98.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 0.734 . . . . 0.0 110.053 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t 54.37 84.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.05 -77.49 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.442 1.088 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.94 162.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m 57.54 102.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.34 -61.14 2.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 m -52.56 154.37 4.65 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.2 40.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 122.74 46.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.69 154.31 42.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' CD2' HD13 ' A' ' 82' ' ' LEU . 28.9 m-85 -125.39 142.45 51.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -68.09 174.66 3.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -124.72 146.85 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.78 170.97 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 m -58.7 -42.55 88.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -74.94 -47.4 29.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.54 ' HG ' HD23 ' A' ' 14' ' ' LEU . 6.9 tp -53.55 -33.37 54.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.36 -33.11 73.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.79 4.2 42.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.363 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 63' ' ' VAL . 47.3 t -96.8 -34.99 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.515 HD22 ' HB1' ' A' ' 35' ' ' ALA . 2.1 mt -127.8 -57.06 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.87 31.63 1.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -115.55 158.01 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 26' ' ' VAL . 13.9 pt-20 -109.0 -43.16 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 HG22 ' HG2' ' A' ' 13' ' ' LYS . 15.3 t -139.13 110.78 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' HB2' HD12 ' A' ' 24' ' ' ILE . 1.5 tp10 -133.84 177.5 7.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 80.6 p -86.31 -168.29 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.384 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -80.63 -43.73 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.271 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -75.02 -51.03 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -42.13 -45.08 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 28' ' ' THR . 32.8 mt -70.43 -62.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 34.0 mt -41.62 -42.92 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -71.71 -52.34 18.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -43.78 -32.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.853 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.9 mt -80.57 -42.09 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 31.1 m0 -51.85 -56.1 16.06 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 42' ' ' ALA . 8.0 t60 -61.57 -65.74 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 38' ' ' HIS . 50.8 t80 -36.25 -51.65 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 36' ' ' ILE . 73.6 t -52.7 -58.65 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -59.02 -49.06 79.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . . . -49.3 -39.95 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 43' ' ' ARG . 1.2 mmp_? -92.14 24.36 3.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 41' ' ' LYS . 5.0 mttt 39.87 45.24 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD11 ' OD1' ' A' ' 57' ' ' ASP . 33.0 mt -88.52 -27.06 21.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -41.75 130.07 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -85.39 134.26 40.75 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -51.88 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.7 m120 -42.63 -41.87 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.32 126.45 8.27 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.39 8.97 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.53 -48.9 7.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.631 ' CZ ' ' CG ' ' A' ' 70' ' ' LYS . 7.2 m-85 -92.13 161.04 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CG ' HG11 ' A' ' 40' ' ' VAL . 7.5 p90 -145.47 146.85 31.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.506 ' O ' HD22 ' A' ' 45' ' ' LEU . 8.8 m-80 -64.0 155.42 31.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.8 p -92.83 132.49 36.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.689 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -73.28 -55.33 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . 163.7 -29.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.88 -16.05 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' HE2' ' A' ' 64' ' ' PHE . 11.0 mt -77.76 -18.95 55.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -72.59 -65.38 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.646 HG21 HG21 ' A' ' 21' ' ' VAL . 87.0 t -78.09 -60.79 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.951 ' CG ' HD13 ' A' ' 69' ' ' LEU . 36.4 m-85 -91.25 -66.42 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 106.35 19.22 10.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' GLU . 2.4 mt-10 -120.09 134.01 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' GLU . 14.5 pt-20 -38.74 -44.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.585 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 1.1 pttm -145.26 153.64 41.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.951 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -133.79 160.99 35.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' CG ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 mtpt -81.65 167.63 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.519 ' O ' ' CZ2' ' A' ' 37' ' ' TRP . 29.5 m-85 -96.41 -3.6 43.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.3 p -116.09 -30.55 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.597 ' SD ' HD21 ' A' ' 69' ' ' LEU . 2.4 ppp? -83.85 12.47 6.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 38.9 t -75.77 -35.48 30.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -23.7 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' CG ' ' O ' ' A' ' 73' ' ' MET . 4.4 pt20 -95.77 19.78 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HE3' HD11 ' A' ' 69' ' ' LEU . 10.0 mmtt -136.66 -55.04 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.926 ' CD1' HD11 ' A' ' 82' ' ' LEU . 2.3 pp -58.17 -37.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 82' ' ' LEU . 8.2 p -38.68 -61.13 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' N ' ' OG ' ' A' ' 79' ' ' SER . 0.2 OUTLIER -41.15 -46.22 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' HB3' HD22 ' A' ' 18' ' ' LEU . 98.6 m-70 -67.09 -42.95 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.926 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.8 mt -52.42 115.84 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -130.11 158.12 75.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 173.02 15.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.476 1.777 . . . . 0.0 111.041 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 159.35 41.45 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 152.74 41.11 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.535 1.808 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.5 p -179.5 69.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.85 99.32 0.17 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 101.05 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 m -159.28 112.29 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.69 -57.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 p -76.22 131.94 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.049 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 t -121.58 94.17 4.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.45 84.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.1 m -142.39 78.89 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.958 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.54 83.35 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.58 -59.07 0.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -57.91 155.83 21.79 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 -169.34 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.07 130.38 56.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -114.7 157.08 23.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -138.85 127.37 23.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -59.2 135.44 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -84.71 159.04 20.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.85 167.22 16.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -61.77 -41.61 97.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -71.77 -49.5 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.809 HD23 HD23 ' A' ' 14' ' ' LEU . 6.8 tp -58.68 -42.11 87.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.65 -14.11 48.83 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -99.06 -15.81 18.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 17' ' ' ALA . 76.3 t -80.87 -53.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 24' ' ' ILE . 1.9 mt -94.33 -62.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.57 35.7 0.9 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.571 HD12 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -112.89 -170.54 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -145.71 -44.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -135.4 96.18 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -125.98 160.0 31.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 31' ' ' ARG . 71.9 p -67.31 -165.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.589 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 5.1 ttm180 -82.84 -46.14 0.88 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.3 Cg_endo -74.97 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.549 ' CG ' ' OG1' ' A' ' 28' ' ' THR . 1.5 mmt180 -36.36 -38.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 28' ' ' THR . 62.5 mt -71.55 -62.28 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 30.4 mt -40.85 -44.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -68.88 -48.69 62.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.498 ' HB1' HD22 ' A' ' 22' ' ' LEU . . . -46.95 -29.24 1.94 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' CD1' HG21 ' A' ' 78' ' ' ILE . 93.9 mt -84.58 -36.02 11.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 34.9 m0 -60.57 -43.67 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.041 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -68.75 -58.61 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.588 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -39.55 -49.24 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.608 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 19.5 t -54.58 -69.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -49.42 -43.39 44.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.01 -37.51 74.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -94.73 16.87 14.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.27 31.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.922 HD21 ' OD1' ' A' ' 57' ' ' ASP . 28.1 mt -77.34 -27.52 52.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' LEU . 60.8 tt0 -38.36 146.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.33 134.36 25.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.42 3.81 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -74.14 -56.24 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.06 117.41 50.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -18.28 18.78 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 10.8 p -82.62 -28.55 30.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 1.5 m-85 -100.49 173.0 6.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 6.3 p90 -162.36 149.71 13.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.572 ' O ' HD22 ' A' ' 45' ' ' LEU . 19.2 m-80 -71.56 149.02 46.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.4 p -91.65 138.31 31.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 108.272 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.922 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -81.3 -69.32 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 57' ' ' ASP . . . -179.54 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.404 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -83.15 -24.24 32.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.608 HD22 ' HE2' ' A' ' 64' ' ' PHE . 12.7 mt -72.45 -27.24 62.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.452 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -63.94 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -39.19 -30.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.452 ' N ' ' C ' ' A' ' 61' ' ' GLN . 97.1 t -76.56 -62.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.907 ' CG ' HD13 ' A' ' 69' ' ' LEU . 47.2 m-85 -90.16 -65.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 61' ' ' GLN . . . 107.1 26.76 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -129.15 143.74 50.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 0.724 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.68 -42.35 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 53' ' ' PHE . 2.4 pttm -140.33 163.81 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.907 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -149.4 159.27 44.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.595 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 3.4 mtpt -82.3 171.65 14.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.608 ' CZ ' HG11 ' A' ' 40' ' ' VAL . 29.0 m-85 -99.53 -8.78 24.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.6 p -109.33 -29.51 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.356 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.584 ' SD ' HD21 ' A' ' 69' ' ' LEU . 1.9 ppp? -85.18 15.06 4.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 70' ' ' LYS . 17.8 t -82.64 -29.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.61 -27.59 68.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -97.46 25.05 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' CE ' ' SD ' ' A' ' 73' ' ' MET . 10.0 mmtt -136.53 -52.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.831 ' CD1' HD11 ' A' ' 82' ' ' LEU . 1.7 pp -64.12 -34.19 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -40.7 -54.71 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -45.15 16.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.618 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ILE . 97.1 m-70 -68.3 -37.64 80.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.629 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.831 HD11 ' CD1' ' A' ' 78' ' ' ILE . 31.3 mt -56.99 124.59 19.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -134.86 161.61 62.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 123.78 8.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.48 1.779 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.55 14.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.494 1.786 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 18.4 Cg_endo -75.03 152.46 40.63 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 18.5 Cg_endo -74.98 -177.2 3.3 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.98 77.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -93.88 166.22 27.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -53.47 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.24 89.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.17 -57.8 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -160.78 -58.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 0.738 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.91 164.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.933 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.73 -117.04 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.62 -47.45 4.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.15 76.26 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.23 153.81 36.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.4 m -57.69 152.58 35.25 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.88 34.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.487 1.783 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.04 -174.22 2.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.286 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -136.64 155.73 49.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 83' ' ' SER . 12.4 m-85 -131.11 144.78 51.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 159.27 34.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD13 HG13 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -111.13 156.86 20.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -84.63 166.8 16.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.8 m -56.32 -43.35 78.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -76.06 -46.86 27.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD13 HG11 ' A' ' 63' ' ' VAL . 4.8 tp -60.09 -27.29 66.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' SER . 25.5 mtp -73.51 -39.46 64.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.18 -11.04 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 17' ' ' ALA . 71.1 t -80.14 -38.96 18.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 35' ' ' ALA . 11.3 mt -115.7 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.55 36.08 0.81 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 27' ' ' GLU . 1.2 pt -124.58 155.32 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.56 -23.78 9.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.1 t -149.69 104.19 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.547 ' HB2' HD12 ' A' ' 24' ' ' ILE . 2.4 tp10 -131.86 175.73 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.485 HG23 ' HD2' ' A' ' 31' ' ' ARG . 26.8 p -92.77 -173.36 3.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 11.7 ttm180 -81.66 -45.28 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' ARG . 18.1 Cg_endo -74.99 -8.78 20.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 76.7 mtt-85 -89.73 -50.41 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 82' ' ' LEU . 20.2 mt -62.01 -61.22 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 37' ' ' TRP . 45.2 mt -39.88 -49.37 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' TRP . . . -66.65 -51.14 59.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 22' ' ' LEU . . . -43.94 -36.2 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.491 ' CD1' HG21 ' A' ' 78' ' ' ILE . 88.8 mt -77.06 -40.59 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 33' ' ' ILE . 35.5 m0 -53.55 -46.25 70.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 107.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -66.94 -59.7 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.641 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -38.26 -56.84 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.925 HG13 ' HB2' ' A' ' 45' ' ' LEU . 77.3 t -53.62 -49.77 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -49.77 75.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.9 -59.32 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -11.94 26.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER 66.04 42.65 3.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.925 ' HB2' HG13 ' A' ' 40' ' ' VAL . 61.2 mt -86.15 -20.58 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -40.97 137.33 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.408 ' ND2' ' OD1' ' A' ' 49' ' ' ASN . 1.3 m120 -88.12 132.42 39.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -37.2 2.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' ND2' ' A' ' 47' ' ' ASN . 3.1 p-10 -59.4 -54.62 44.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.47 125.26 25.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.92 21.24 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' LYS . 37.9 m -84.22 -25.46 29.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 2.1 m-85 -106.56 174.77 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 p90 -163.49 151.83 13.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -67.3 150.39 49.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 67' ' ' GLU . 14.7 p -91.55 170.43 9.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' OD1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -129.49 -176.06 3.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.0 -0.44 27.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HG22 ' A' ' 21' ' ' VAL . . . -112.02 -47.86 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD12 ' OD1' ' A' ' 57' ' ' ASP . 14.4 mt -63.43 -33.24 75.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.26 -57.98 10.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.88 -26.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.618 HG11 HD13 ' A' ' 18' ' ' LEU . 87.4 t -87.76 -71.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.674 ' CG ' HD13 ' A' ' 69' ' ' LEU . 39.1 m-85 -73.86 -67.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.6 45.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.74 133.33 48.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 68' ' ' LYS . 12.5 pt-20 -39.87 -41.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.557 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 2.6 pttm -140.27 176.0 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.674 HD13 ' CG ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -162.6 152.78 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -74.28 171.96 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -98.56 -6.09 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 63.5 p -113.86 -25.16 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.581 ' HG2' ' CB ' ' A' ' 70' ' ' LYS . 2.4 ptm -84.03 -4.75 58.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 70' ' ' LYS . 4.6 t -53.54 -56.86 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 79' ' ' SER . 23.3 t -40.3 -64.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -42.35 -31.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' A' ' 69' ' ' LEU . 36.7 mmtt -86.53 -79.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.794 HD12 ' N ' ' A' ' 79' ' ' SER . 2.6 pp -37.04 -38.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.794 ' N ' HD12 ' A' ' 78' ' ' ILE . 60.7 p -38.85 -56.79 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -45.54 -48.75 14.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.587 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.605 ' NE2' HG13 ' A' ' 63' ' ' VAL . 98.1 m-70 -62.8 -41.21 99.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.556 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.667 HD11 ' CD1' ' A' ' 78' ' ' ILE . 24.1 mt -51.12 131.79 27.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -142.02 157.43 64.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.97 9.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.532 1.806 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 172.51 16.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 18.3 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 86' ' ' PRO . 18.3 Cg_endo -75.04 93.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.81 119.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.42 106.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.98 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.451 1.764 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.7 t 65.64 76.58 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.49 132.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 -179.962 . . . . . . . . 0 0 . 1 stop_ save_