data_1v89_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 1v89 _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 ' 9' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.9 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' CE ' ' HB3' ' A' ' 102' ' ' GLU . 3.9 tttt -133.96 135.72 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -142.84 145.19 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.94 162.29 27.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -84.29 112.09 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 103' ' ' TRP . 26.5 mt -113.03 157.21 21.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 116.12 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 30.3 tttm -106.52 128.92 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.552 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 84.9 m95 -120.83 140.64 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.66 106.69 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -73.35 100.58 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -118.74 163.48 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.97 103.94 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CE2' HD11 ' A' ' 92' ' ' LEU . 14.3 m-85 -88.82 142.08 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -135.98 143.01 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.27 108.88 19.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.11 124.32 42.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.6 -142.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.5 56.28 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mt-30 -162.95 139.0 7.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.8 tm? -102.85 127.64 49.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 29.3 m-85 -123.14 167.8 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 127.5 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.05 150.97 17.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.3 p -136.97 119.49 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE1' ' CG ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -115.31 123.79 49.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -70.91 106.95 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 23.7 mt -59.05 -43.33 97.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 55.77 4.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.04 43.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.81 170.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -134.31 106.19 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.13 112.11 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.7 mtmt -116.82 129.01 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.13 110.38 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 2.5 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.563 0.221 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.57 137.89 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -154.26 135.25 13.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -112.02 145.08 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -103.4 127.87 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -107.01 120.96 46.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.435 ' CB ' HG13 ' A' ' 76' ' ' ILE . 66.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.561 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -103.91 91.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.84 103.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 29' ' ' PHE . 17.0 mt -112.74 145.38 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.506 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 56.1 ttp -139.76 134.75 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.57 153.22 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -68.49 -55.29 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -105.68 161.14 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 41.1 tt0 -70.43 -57.72 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -40.76 -29.78 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 3.8 tt0 -77.64 -49.26 14.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.2 ttp -63.99 -35.82 81.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.04 -45.57 91.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.1 -58.57 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.536 ' CD1' HD12 ' A' ' 14' ' ' LEU . 18.0 m95 -46.04 -62.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.6 t -50.72 -53.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.86 -63.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 20.6 m-85 -56.61 -54.66 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.4 mt -48.28 -62.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -43.88 77.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -71.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.5 t -48.07 -48.93 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.4 126.56 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.14 142.42 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.87 166.64 35.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.9 m95 -100.04 121.8 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' CD1' ' A' ' 103' ' ' TRP . 14.3 mt -122.26 152.76 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -87.29 113.34 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -102.19 131.31 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' HE1' ' A' ' 93' ' ' MET . 82.1 m95 -126.59 122.58 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.27 120.51 42.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 99.13 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 168.38 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.4 t80 -107.23 108.38 19.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 39.4 m-85 -100.34 136.67 39.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -130.65 135.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 ttt180 -132.43 134.7 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 47.13 -144.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.88 29.68 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 16.0 mt-30 -135.5 142.02 45.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 2.5 tm? -106.66 124.66 49.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 32' ' ' ARG . 8.3 m-85 -118.0 161.93 18.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.2 126.21 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.98 172.18 23.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.33 136.45 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 124.11 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.406 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -74.72 107.6 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.651 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 27.8 mt -57.07 -43.3 99.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.05 91.15 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.91 3.69 8.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.444 ' SG ' ' CG2' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -93.15 172.95 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 m -134.3 100.57 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.19 115.27 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 14.5 mtmt -121.27 147.89 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.17 98.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 mm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 10.0 m-30 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.539 0.209 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.41 HG13 ' CH2' ' A' ' 24' ' ' TRP . 2.6 t -126.41 126.12 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -141.14 140.35 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -114.85 151.06 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.444 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 5.1 mt -107.2 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -92.82 117.01 67.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.063 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -100.64 91.13 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 101.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.0 mt -111.64 146.6 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.551 ' HE1' ' CE3' ' A' ' 24' ' ' TRP . 1.6 tmm? -140.61 132.02 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.43 -179.64 4.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -93.77 -47.56 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -116.52 173.06 6.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 16.3 tt0 -77.09 -44.43 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.43 -28.54 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -76.12 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.7 tmm? -57.3 -36.93 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.2 -41.38 98.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.54 -62.42 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.423 ' CD1' HD12 ' A' ' 14' ' ' LEU . 24.2 m95 -46.54 -59.29 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -51.84 -51.12 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.7 ttpt -46.55 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 31' ' ' LEU . 36.9 mt -53.68 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -51.22 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 5.5 ttm-85 -39.09 -58.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.69 -43.59 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 106' ' ' PHE . 3.3 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 4.1 tmtm? -139.17 133.22 31.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -138.14 150.68 47.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.25 163.27 26.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -88.25 120.36 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 103' ' ' TRP . 8.9 mt -119.53 150.9 39.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 1.1 mtmt -91.67 100.26 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.01 127.55 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 3.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 93.4 m95 -116.9 122.93 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.25 112.86 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.57 97.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -113.2 167.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -97.61 116.65 30.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CE2' HD13 ' A' ' 92' ' ' LEU . 19.0 m-85 -104.09 135.62 45.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.22 135.74 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -100.85 109.2 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.95 116.8 24.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.64 -143.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -91.74 49.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -155.92 145.53 21.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 2.0 tm? -107.43 125.01 50.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -115.28 164.64 13.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.4 p90 -159.15 126.22 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 9.9 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.38 160.27 25.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.1 p -136.03 133.51 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.405 ' HE1' ' CG ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -118.87 124.25 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.76 107.77 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.653 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.5 mt -63.45 -43.31 78.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 88.23 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.73 -21.9 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.44 156.37 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.7 m -118.88 116.24 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 108' ' ' ARG . 2.0 mp -90.69 106.41 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 7.3 mtmt -110.89 130.6 55.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -86.17 111.01 19.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.4 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.477 0.179 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.5 t -134.26 129.88 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 100' ' ' MET . 18.5 p90 -142.68 133.69 25.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.53 146.4 37.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.66 135.16 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 mp -114.79 129.87 24.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.405 ' CG ' ' HE1' ' A' ' 51' ' ' MET . 0.5 OUTLIER -95.02 91.07 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.405 HG13 ' CH2' ' A' ' 24' ' ' TRP . 59.8 t -77.66 102.01 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.499 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.7 mt -110.96 135.87 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 1.8 ttm -124.36 132.53 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.85 157.43 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -50.01 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 97' ' ' GLN . 1.5 t -111.7 174.35 5.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 48.3 tt0 -81.28 -48.04 12.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.97 -23.85 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.03 -54.5 5.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 73' ' ' PHE . 21.5 ttp -58.79 -33.9 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.01 -47.74 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.459 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 tp10 -56.55 -60.19 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.462 ' CD1' HD11 ' A' ' 14' ' ' LEU . 28.9 m95 -50.3 -58.62 5.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.9 t -48.33 -55.93 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.5 ttpp -40.45 -58.31 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 38.0 m-85 -62.96 -55.36 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' N ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.87 -49.06 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.0 ttt180 -46.81 -60.77 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.52 -50.72 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.2 117.31 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.72 149.4 42.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.59 159.52 20.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -93.53 105.34 17.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 103' ' ' TRP . 18.3 mt -105.94 147.85 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -83.94 118.09 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -109.8 129.38 55.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.528 ' CE3' ' HE3' ' A' ' 93' ' ' MET . 79.1 m95 -129.79 112.08 13.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.92 118.2 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.61 101.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -108.7 149.01 29.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.25 98.04 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 30.3 m-85 -88.58 138.61 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.41 129.25 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -96.86 104.34 16.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 8.5 mtp85 -123.55 143.89 49.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.89 -144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.13 49.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.8 mt-30 -158.19 142.05 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -102.58 122.82 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 32' ' ' ARG . 11.9 m-85 -117.05 165.65 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p90 -159.89 126.52 4.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 19.7 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 18.4 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -149.33 165.22 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 p -148.31 122.47 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.34 125.36 53.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.92 107.67 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 20.3 mt -61.73 -43.01 86.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.04 55.34 3.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.98 44.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.42 172.41 12.94 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.8 m -134.32 112.62 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -88.65 110.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.9 mtmt -117.63 144.56 45.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.18 102.4 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.508 0.194 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.13 137.4 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -150.36 138.19 20.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.6 pt-20 -110.76 153.45 25.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mt -111.7 121.28 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.5 mp -104.85 139.0 19.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 76' ' ' ILE . 60.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -96.55 90.93 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.93 103.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 29' ' ' PHE . 16.6 mt -111.94 151.46 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.528 ' HE3' ' CE3' ' A' ' 24' ' ' TRP . 27.2 ttp -140.54 144.85 36.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.55 155.53 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -60.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.9 p -97.12 -178.11 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 42.7 tt0 -90.79 -40.28 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.63 -24.8 66.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.64 -39.71 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.2 ttp -73.27 -37.38 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.12 -37.81 88.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.49 -60.75 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.526 ' CD1' HD13 ' A' ' 14' ' ' LEU . 29.9 m95 -47.17 -56.14 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.25 -48.53 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -63.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -55.3 -46.77 76.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.92 -69.69 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -42.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -51.3 -59.01 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.01 -51.72 69.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 10.5 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HE2' ' CD2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -141.4 129.07 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.77 125.74 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . -167.93 -159.48 13.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.51 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 17.1 m95 -119.8 145.83 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 19.0 mt -147.08 159.53 43.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -98.38 118.49 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 16.7 tttm -114.39 136.17 53.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.489 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.2 m95 -100.93 133.0 46.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.8 113.84 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.42 103.87 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.72 159.93 31.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -78.61 126.36 30.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 92' ' ' LEU . 6.9 m-85 -117.22 118.9 33.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.04 149.4 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.7 118.29 32.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttt180 -127.14 131.45 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.44 -140.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -91.7 55.03 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.5 mt-30 -160.17 149.3 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.22 124.35 51.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 5.4 m-85 -120.19 165.6 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -156.13 131.4 9.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.99 167.34 13.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.2 p -149.22 128.17 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.459 ' HE1' ' CG ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -124.94 126.47 45.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER -74.98 107.84 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 28.0 mt -59.32 -43.37 96.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 57.88 4.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.14 44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -136.64 172.35 13.14 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -134.44 113.43 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -85.68 111.3 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -118.42 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.77 108.22 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.0 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.91 143.79 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -161.0 132.87 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -107.18 152.16 24.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mt -110.48 121.32 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -101.88 125.46 36.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.224 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.447 ' CB ' HG13 ' A' ' 76' ' ' ILE . 59.9 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.36 91.0 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -72.04 101.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 29' ' ' PHE . 16.9 mt -109.4 149.13 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -143.19 135.21 26.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.88 152.77 22.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -50.14 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 51.8 tt0 -95.78 -52.39 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.94 -26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -49.14 19.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 ttp -64.38 -35.98 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.4 -42.2 88.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.11 -50.99 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CD2' ' HE2' ' A' ' 10' ' ' LYS . 61.3 m95 -56.77 -50.87 70.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.26 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 10.5 m-85 -49.16 -53.46 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.66 -66.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -51.88 -38.19 55.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -54.79 42.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.17 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 106' ' ' PHE . 4.0 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -125.71 126.23 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 135.37 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.43 170.27 42.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.0 142.35 28.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.566 HD12 ' CD1' ' A' ' 103' ' ' TRP . 31.9 mt -140.72 156.04 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -94.94 116.87 29.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -108.52 130.9 55.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.532 ' CE3' ' HE3' ' A' ' 93' ' ' MET . 77.3 m95 -101.17 129.97 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -112.61 115.93 29.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.31 115.49 11.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -129.54 173.8 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -102.73 103.79 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 92' ' ' LEU . 15.3 m-85 -92.44 132.99 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 t -127.37 136.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.51 113.81 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -128.16 136.35 51.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.06 -141.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.19 53.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -161.61 140.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -101.68 126.97 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -121.15 168.43 11.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.3 p90 -159.62 126.05 4.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 20.4 m-85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.5 169.02 16.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.435 1.085 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.4 p -149.16 120.25 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.04 118.43 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -64.57 106.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.1 mt -59.9 -43.5 94.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.04 56.18 4.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.55 43.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.08 170.59 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -134.25 107.07 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 108' ' ' ARG . 2.7 mp -82.58 102.83 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 12.0 mtmt -100.25 124.93 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.56 101.02 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.6 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.527 0.203 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ILE . 6.5 t -139.94 133.63 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -144.34 133.63 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.02 139.03 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -95.34 123.6 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 mt -105.13 122.74 42.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 76' ' ' ILE . 11.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -92.96 91.52 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.0 t -73.67 103.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 29' ' ' PHE . 16.5 mt -112.07 140.89 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.532 ' HE3' ' CE3' ' A' ' 24' ' ' TRP . 36.6 ttp -133.62 138.78 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.86 173.81 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -53.21 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -113.12 155.92 24.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 61.6 tt0 -62.34 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.71 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.89 -52.93 9.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.88 -35.09 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.63 -45.64 82.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.6 tp10 -59.23 -59.72 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.566 ' CD1' HD12 ' A' ' 14' ' ' LEU . 39.9 m95 -48.42 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' ARG . 50.6 t -44.27 -56.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -60.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.556 ' CD1' HG22 ' A' ' 9' ' ' ILE . 25.8 m-85 -60.94 -53.49 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.51 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.423 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.0 mtt180 -49.34 -47.39 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -49.16 -69.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.8 t -48.38 -49.93 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 5.2 tttp -123.2 127.52 48.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.421 ' HG2' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.96 129.86 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.61 170.82 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -94.14 126.78 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 103' ' ' TRP . 18.6 mt -127.59 145.57 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -84.43 104.36 14.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -96.16 125.93 41.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' CB ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 88.9 m95 -103.18 107.29 18.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.049 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -98.92 110.0 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.03 97.9 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -108.73 105.0 14.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.548 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 26.0 m-85 -94.76 147.13 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 3.3 t -140.38 132.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.65 142.83 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -132.3 -153.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.86 117.92 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' ALA . 42.5 mt-30 36.28 44.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.347 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 3.0 mt-30 -165.25 153.31 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.8 tm? -130.1 137.22 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 35' ' ' GLN . 3.1 m-85 -130.35 165.56 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -157.9 128.51 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.29 166.16 25.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.2 p -142.5 126.73 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.67 133.97 49.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.16 106.46 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 15.9 mt -56.63 -44.1 99.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.08 0.45 8.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -87.09 178.4 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -134.77 99.81 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.78 110.21 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -118.68 139.12 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.39 102.99 15.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.4 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.2 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.471 0.177 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.36 127.55 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 11.4 p90 -144.5 131.08 19.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.39 151.37 25.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.489 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 7.0 mt -109.73 119.3 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -103.8 115.49 63.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.447 ' CB ' HG13 ' A' ' 76' ' ' ILE . 39.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.72 91.19 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 17' ' ' GLN . 64.5 t -72.28 102.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.548 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 17.5 mt -112.26 137.89 49.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.561 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -131.1 134.98 47.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.24 140.67 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -58.91 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 p -98.98 171.72 7.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.6 tt0 -81.53 -51.81 7.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.19 -28.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.17 -47.55 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.9 ttp -66.01 -33.64 76.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.58 -48.16 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 7.6 tp10 -58.46 -51.91 67.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.489 ' CD1' HD12 ' A' ' 14' ' ' LEU . 34.6 m95 -56.44 -63.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 t -46.32 -45.13 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.79 -63.13 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -56.59 -42.62 78.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.406 ' CD2' HD11 ' A' ' 31' ' ' LEU . 36.1 mt -61.05 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -39.73 57.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.1 ttt85 -55.06 -58.64 6.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.93 -40.64 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 7.9 tttp -124.24 134.63 53.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.431 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 mtm -133.75 122.51 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.66 166.48 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -84.87 128.84 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD13 ' CE2' ' A' ' 103' ' ' TRP . 19.7 mt -130.53 150.73 51.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -86.07 138.09 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -136.33 116.59 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.518 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 59.6 m95 -107.03 140.81 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -117.28 109.88 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 100.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.09 159.56 25.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.5 136.26 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 92' ' ' LEU . 14.8 m-85 -131.23 118.91 21.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' CB ' ' A' ' 11' ' ' MET . 22.1 t -118.13 159.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -122.6 137.87 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -137.47 128.52 27.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.23 -102.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -126.41 62.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 20.1 mt-30 -162.29 148.24 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -111.55 117.31 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 27.9 m-85 -117.01 161.76 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -151.93 132.06 13.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.56 31.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.22 125.86 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -76.27 106.97 8.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 6.9 mt -58.68 -43.56 98.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 55.53 4.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.78 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.7 170.72 14.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -130.7 107.59 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.31 109.22 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 3.1 mtmt -118.21 127.74 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.65 105.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.6 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.482 0.182 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.1 t -137.34 144.14 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -163.57 140.13 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -115.12 144.46 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.65 129.49 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.0 mp -109.29 122.7 38.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.429 ' CB ' HG13 ' A' ' 76' ' ' ILE . 74.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -109.21 91.25 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG1' ' CH2' ' A' ' 24' ' ' TRP . 84.8 t -70.92 99.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 29' ' ' PHE . 15.2 mt -109.25 149.22 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.475 ' HE1' ' CE2' ' A' ' 24' ' ' TRP . 18.0 ttp -140.51 143.3 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.55 146.38 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.3 m -95.77 38.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 179.83 139.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 40.0 tt0 -63.03 -48.36 79.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.75 68.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.03 -52.73 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.5 ttp -61.85 -34.09 75.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.98 -50.38 49.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.443 ' HG2' ' CE ' ' A' ' 10' ' ' LYS . 1.4 tp10 -55.3 -51.11 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.515 ' CE2' HD13 ' A' ' 14' ' ' LEU . 45.7 m95 -57.26 -68.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -43.96 -45.72 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -60.28 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -60.65 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.46 -67.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -44.78 56.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -55.17 -70.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.5 t -47.51 -51.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -128.81 136.52 50.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.9 143.14 50.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.82 165.53 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -97.88 123.98 42.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 64.8 mt -124.41 145.92 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -89.75 112.19 23.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -96.29 142.28 28.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 95.3 m95 -88.91 140.61 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 11.4 tp60 -122.91 113.09 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.5 105.4 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -121.45 167.69 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -100.6 105.55 16.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 92' ' ' LEU . 28.1 m-85 -95.51 135.64 36.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.48 145.88 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.88 130.18 55.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -150.57 143.49 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 43.0 -139.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -103.8 44.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -152.27 141.8 21.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -99.79 129.03 45.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 11.1 m-85 -122.51 162.86 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -159.93 132.26 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.3 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 2.7 mm-40 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.06 171.55 19.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.1 p -150.61 127.5 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.18 145.29 47.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -91.37 106.94 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 21.8 mt -63.93 -44.13 77.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 65.65 6.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -127.56 160.29 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 111.74 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.56 99.09 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mttt -92.72 132.08 37.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -95.06 84.81 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.3 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.48 0.181 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.73 122.01 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -138.06 141.08 40.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.6 pt-20 -114.28 132.52 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 92' ' ' LEU . 7.0 mt -90.6 125.69 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 59' ' ' LYS . 4.0 mt -108.75 122.04 41.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 32.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -99.6 90.73 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.37 99.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD13 ' CE2' ' A' ' 29' ' ' PHE . 14.3 mt -109.78 138.16 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.521 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 29.2 ttp -126.73 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.53 138.89 41.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 p -60.77 -49.71 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -109.26 -176.01 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 44.4 tt0 -92.9 -51.97 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.91 -25.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -53.85 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 34.5 ttp -56.62 -38.14 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.4 -55.08 35.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 1.8 tp10 -56.83 -41.02 77.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.491 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 9.7 m95 -62.63 -64.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.6 t -51.65 -46.24 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -64.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 22.3 m-85 -60.06 -55.95 27.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 mt -42.6 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -50.87 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -71.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 49.6 t -50.0 -53.0 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 20.5 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 2.2 tmtm? -126.08 126.43 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 146.38 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . 176.21 -153.55 14.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -123.01 156.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 6.7 mt -155.55 139.64 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -81.34 109.52 15.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -101.62 124.32 47.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.518 ' CH2' ' CG1' ' A' ' 91' ' ' VAL . 59.0 m95 -87.46 134.54 33.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -118.12 119.05 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 109.54 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 25' ' ' GLN . 8.8 mmt-85 -124.29 177.29 5.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -99.89 133.4 44.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 92' ' ' LEU . 15.1 m-85 -125.86 132.57 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.11 143.19 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 113.1 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -93.9 -73.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.36 129.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 42.15 30.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.1 mt-30 -164.23 136.4 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -109.9 123.06 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 46.8 m-85 -117.16 158.71 23.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -156.08 129.74 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.09 21.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.8 p -150.47 118.2 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.11 123.32 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 108.8 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 21.6 mt -59.37 -43.22 96.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 57.41 4.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.3 43.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.9 m -136.37 170.28 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' CD ' ' A' ' 59' ' ' LYS . 5.1 m -130.6 110.88 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.96 102.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CD ' HG23 ' A' ' 57' ' ' THR . 23.8 mtpt -107.81 148.92 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -94.47 124.6 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 8.8 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 13.7 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.514 0.197 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.7 t -128.16 151.01 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -160.36 145.5 14.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.468 ' OE2' ' CD1' ' A' ' 61' ' ' ILE . 1.6 pm0 -117.77 142.32 47.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.68 121.99 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 3.5 mt -105.55 127.79 27.81 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -101.96 91.73 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.518 ' CG1' ' CH2' ' A' ' 24' ' ' TRP . 93.7 t -79.68 98.13 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 29' ' ' PHE . 12.6 mt -106.26 150.95 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 17.7 ttp -139.95 137.78 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.81 164.09 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -51.06 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -115.49 160.51 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.4 tt0 -64.74 -49.82 69.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.79 -33.48 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.05 -54.46 8.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' A' ' 100' ' ' MET . 17.6 tmm? -57.32 -38.51 74.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.82 -43.05 99.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.467 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 3.7 tp10 -62.76 -57.24 11.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.409 ' CE2' HD12 ' A' ' 14' ' ' LEU . 40.4 m95 -53.71 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 107.976 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 108' ' ' ARG . 41.6 t -41.82 -51.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 5.4 ttpp -44.86 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 27.9 m-85 -55.34 -47.72 75.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.4 mt -55.32 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' VAL . 1.2 mtt-85 -53.14 -55.96 20.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -38.42 -56.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.23 -54.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.573 HG23 ' CE1' ' A' ' 106' ' ' PHE . 37.9 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 5.5 tmtm? -124.04 133.13 53.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 144.83 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.99 172.94 45.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.9 m95 -103.1 125.63 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' A' ' 103' ' ' TRP . 7.4 mt -124.77 144.49 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.59 105.67 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' A' ' 38' ' ' TYR . 24.9 tttt -99.84 129.52 45.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 89.3 m95 -114.37 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -111.09 118.74 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 113.92 8.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -122.76 165.75 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.6 t80 -100.51 104.19 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' ' 92' ' ' LEU . 28.1 m-85 -93.1 134.65 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.55 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 126.02 43.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -118.62 -79.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.46 -150.23 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -74.76 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -165.0 145.71 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.64 123.05 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 47.6 m-85 -110.71 154.47 23.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 p90 -159.67 127.62 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.1 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.43 37.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.69 133.2 26.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.89 122.42 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -67.41 107.72 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 28.3 mt -62.12 -43.17 85.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.69 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.79 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 1.1 m -134.47 110.52 9.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.47 103.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HD2' ' CG2' ' A' ' 57' ' ' THR . 12.8 mtpp -110.99 141.44 44.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.74 91.59 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.9 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 9.0 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.508 0.194 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.8 t -138.24 124.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.59 138.24 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -117.99 145.08 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.441 HD13 ' CD1' ' A' ' 92' ' ' LEU . 8.1 mt -103.95 132.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 2.2 mp -110.69 126.94 27.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.425 ' CB ' HG13 ' A' ' 76' ' ' ILE . 84.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.32 90.59 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG11 ' CZ3' ' A' ' 24' ' ' TRP . 53.2 t -72.0 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CE2' ' A' ' 29' ' ' PHE . 18.5 mt -109.29 138.09 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -132.44 121.02 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.26 159.14 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.2 p -81.96 -42.72 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -124.57 145.77 49.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 tt0 -51.71 -47.45 63.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.36 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.69 88.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.0 ttp -69.16 -59.91 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -39.99 -56.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -59.65 -49.74 76.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.507 ' CE2' HD11 ' A' ' 14' ' ' LEU . 6.5 m95 -53.72 -71.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' TRP . 41.2 t -40.39 -50.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -47.19 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 9' ' ' ILE . 16.2 m-85 -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.75 -70.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -51.15 -50.92 58.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -38.22 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -51.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.655 ' CG2' ' CD1' ' A' ' 106' ' ' PHE . 5.2 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -125.13 141.48 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.42 ' HG2' ' CG2' ' A' ' 30' ' ' VAL . 29.7 mtm -140.14 141.8 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.66 173.81 46.08 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -99.1 117.12 32.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 103' ' ' TRP . 26.3 mt -117.32 151.05 37.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.52 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' NZ ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -104.2 127.77 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' NE2' HG13 ' A' ' 91' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 88.9 m95 -100.84 102.28 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 108.015 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -94.91 117.71 30.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -69.03 122.64 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.7 mmp_? -134.86 156.35 49.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.62 100.9 13.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' A' ' 92' ' ' LEU . 20.0 m-85 -89.79 141.66 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 19.3 t -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -108.99 112.45 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.46 127.22 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 48.2 -138.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.07 44.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.5 mt-30 -150.9 136.62 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.24 124.59 45.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 26.2 m-85 -119.57 164.97 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -159.61 128.48 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.045 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.9 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.7 mm-40 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.34 127.8 4.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.07 140.02 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.459 ' HE3' ' CG ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -129.52 115.39 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -63.14 104.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 20.3 mt -57.98 -43.68 98.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 54.79 3.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.9 43.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.91 170.45 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.0 m -133.93 109.4 9.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.01 121.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HD3' ' CD1' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -127.81 150.48 49.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -96.32 82.38 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.1 mm . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.3 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.506 0.193 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.47 141.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.27 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 1.2 pt-20 -117.59 145.77 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 92' ' ' LEU . 4.1 mt -107.78 129.57 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 3.4 mt -111.88 121.98 38.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' CG ' ' HE3' ' A' ' 51' ' ' MET . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.44 ' CB ' HG13 ' A' ' 76' ' ' ILE . 20.5 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.532 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -105.73 90.76 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.401 HG13 ' NE2' ' A' ' 17' ' ' GLN . 81.4 t -76.5 103.07 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -112.02 147.29 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.478 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 31.3 ttp -133.08 142.05 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.43 162.82 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 m -80.73 -56.75 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -108.36 153.55 23.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.0 tt0 -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.05 -30.71 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.75 -49.73 17.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -62.61 -35.72 80.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.06 -43.32 87.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -66.7 -55.59 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.534 ' CD1' HD12 ' A' ' 14' ' ' LEU . 7.8 m95 -50.0 -55.17 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.19 -49.48 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -41.21 -61.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.655 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 36.7 m-85 -63.54 -53.77 46.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 mt -44.86 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -52.65 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -41.79 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.4 t -46.23 -52.25 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 106' ' ' PHE . 5.7 mm . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -133.89 135.94 43.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 128.9 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 169.33 40.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.7 m95 -98.7 115.55 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 103' ' ' TRP . 52.0 mt -118.24 145.94 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -84.7 125.28 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -112.84 129.41 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 96.0 m95 -82.47 121.29 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.4 112.79 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 103.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.67 151.59 34.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.9 t80 -83.97 98.68 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 92' ' ' LEU . 21.8 m-85 -87.53 132.41 34.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -126.92 145.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -110.61 119.21 38.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -129.9 119.11 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.45 -142.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -86.41 57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 8.6 mt-30 -164.2 145.81 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 2.0 tm? -116.61 119.83 36.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 5.5 m-85 -114.49 164.16 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -158.69 126.51 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.4 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.26 169.82 23.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.02 136.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.97 130.96 40.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -83.1 106.86 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 17.7 mt -55.1 -44.5 99.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.4 33.5 1.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 19.9 m -128.67 174.87 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -134.12 111.8 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.14 103.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -103.4 144.95 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -102.52 115.32 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.45 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 14.0 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 21.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.485 0.183 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.24 144.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -154.99 137.95 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.45 ' OE2' ' CD1' ' A' ' 61' ' ' ILE . 4.8 pm0 -111.51 145.1 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 92' ' ' LEU . 3.8 mt -103.69 109.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.93 130.34 48.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.448 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -93.12 91.5 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.55 99.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.8 mt -107.99 151.84 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -140.27 134.77 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.04 165.35 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -81.07 -48.38 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -114.07 165.36 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 59.3 tt0 -74.0 -49.46 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.87 -26.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -79.65 -49.61 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 31.6 ttp -64.59 -34.16 77.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.12 -43.96 85.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -56.33 19.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.508 ' CD1' HD12 ' A' ' 14' ' ' LEU . 38.7 m95 -49.42 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 108' ' ' ARG . 53.9 t -43.51 -56.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -61.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.564 ' CD1' HG22 ' A' ' 9' ' ' ILE . 28.4 m-85 -59.1 -55.12 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.59 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -52.41 -46.72 66.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -47.61 -62.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.99 -46.47 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' CG2' ' CD1' ' A' ' 106' ' ' PHE . 57.9 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 9.8 tttp -141.06 138.49 33.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mtm -132.12 132.44 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 165.25 36.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.67 126.26 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 4.8 mt -125.77 157.46 37.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.33 103.7 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -91.47 117.81 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 27.7 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 23' ' ' ASN . 23.3 p30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 79.3 m95 -126.92 124.56 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.79 114.63 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.63 103.13 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -116.86 176.01 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -100.38 102.94 14.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 92' ' ' LEU . 11.0 m-85 -87.26 135.12 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.8 122.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -96.82 143.49 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -129.82 -151.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.73 119.88 24.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' HA ' ' CG1' ' A' ' 110' ' ' VAL . 50.3 mt-30 37.19 44.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.5 mt-30 -165.33 151.09 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 31' ' ' LEU . 3.1 tm? -126.94 141.8 51.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.58 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.6 m-85 -137.74 165.61 25.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.65 126.96 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.98 172.8 29.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.43 137.82 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -130.89 128.96 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 0.7 OUTLIER -79.35 113.58 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.686 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 16.1 mt -63.89 -41.59 64.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.54 12.47 21.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 111' ' ' ALA . 15.3 p -89.09 166.15 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -134.54 100.53 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.61 115.78 26.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -119.7 120.99 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.66 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 8.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.516 0.198 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.04 132.86 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -143.01 139.48 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -113.3 137.24 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.5 126.48 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 HG13 ' CB ' ' A' ' 89' ' ' SER . 3.1 mt -105.59 126.44 30.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 63.1 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' OH ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -105.68 91.13 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.3 t -76.6 96.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 29' ' ' PHE . 11.0 mt -104.61 145.83 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 32.3 ttp -132.54 142.02 49.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.02 150.55 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.39 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -106.12 -174.25 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 53.3 tt0 -95.78 -46.8 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.01 -30.96 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -77.2 -46.79 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.0 ttp -63.34 -36.63 84.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.92 -41.81 95.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 9.0 tp10 -67.83 -47.07 70.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 10' ' ' LYS . 11.5 m95 -54.5 -61.1 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.4 t -51.89 -46.86 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CE ' ' OE2' ' A' ' 102' ' ' GLU . 11.6 ttpp -43.94 -67.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 28.4 m-85 -55.56 -57.71 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.6 mt -44.31 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' ARG . 3.6 mtt180 -54.89 -53.99 48.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -37.71 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 34' ' ' GLN . 58.0 t -46.42 -47.74 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' A' ' 106' ' ' PHE . 9.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' SD ' ' A' ' 11' ' ' MET . 4.4 tttt -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 10' ' ' LYS . 3.8 mpp? -147.53 144.69 28.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 162.89 29.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 12.8 m95 -91.87 113.39 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD12 ' CD1' ' A' ' 103' ' ' TRP . 24.1 mt -113.61 172.93 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.52 111.44 22.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -104.36 126.83 51.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 85.3 m95 -99.54 133.68 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -113.76 118.58 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.77 97.42 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.17 165.4 12.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 2.6 t80 -96.71 106.3 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 26.2 m-85 -92.3 140.91 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.4 t -131.08 135.21 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.47 107.08 17.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 74.1 ttt180 -127.25 146.07 50.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.66 -143.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.15 39.87 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.2 mt-30 -146.07 138.26 25.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.9 tm? -100.93 125.23 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 8.3 m-85 -119.62 163.89 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -158.67 128.76 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.03 145.59 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.9 p -124.72 136.37 53.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.73 119.93 31.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.21 105.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 53.7 mt -59.72 -43.47 95.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.3 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 3.5 m -135.03 170.81 15.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -134.73 106.83 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -79.01 110.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -111.67 143.18 42.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -91.14 125.54 35.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 4.7 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.7 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.508 0.194 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.38 133.88 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -143.78 155.41 44.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -127.97 139.82 52.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.59 117.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.94 134.54 24.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -108.46 91.09 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.0 t -76.67 99.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.8 mt -107.12 144.58 33.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 ttp -130.69 140.29 50.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.62 156.17 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p -81.34 -42.42 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -117.32 156.24 28.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 46.4 tt0 -68.78 -49.78 55.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.44 -30.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.45 -50.68 11.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.75 -34.93 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.23 -43.69 90.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.41 -57.71 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.501 ' CD1' HD12 ' A' ' 14' ' ' LEU . 33.2 m95 -45.61 -61.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.02 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -49.95 -51.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -46.74 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 9' ' ' ILE . 30.6 m-85 -54.13 -52.0 62.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.16 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -45.08 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -47.86 -67.8 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.0 t -54.17 -52.66 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 15.9 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 7.8 tmtm? -128.56 129.64 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtm -129.7 154.56 47.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.53 161.36 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -91.57 112.58 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 17.4 mt -111.01 156.51 21.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 2.9 mtmt -97.22 108.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 47.9 tttp -100.34 128.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 91.3 m95 -94.37 127.51 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 107.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -111.66 117.45 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 100.62 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -116.77 160.13 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.12 102.39 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 17.8 m-85 -88.74 141.44 28.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.87 139.01 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -105.99 121.87 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -142.81 129.16 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.67 -140.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -101.75 30.91 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -138.81 138.61 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.9 tm? -99.78 130.3 45.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -122.67 161.91 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -153.54 132.45 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 9.1 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 15.1 mm100 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.98 166.7 17.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -149.24 115.9 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.76 123.33 46.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -69.81 104.64 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 10.1 mt -57.08 -43.84 99.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.07 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.768 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.65 43.42 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 52' ' ' TYR . 15.5 m -131.57 173.47 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -134.44 103.95 5.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.418 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 HD12 ' CG ' ' A' ' 108' ' ' ARG . 2.4 mp -81.44 102.08 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -105.72 146.25 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -99.35 98.96 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.8 t -124.02 128.2 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -143.11 136.47 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -110.58 139.05 46.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 92' ' ' LEU . 23.5 mt -99.4 117.17 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.431 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.3 mt -97.45 123.12 53.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.409 ' CB ' HG13 ' A' ' 76' ' ' ILE . 12.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -101.15 91.51 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.513 HG13 ' CZ3' ' A' ' 24' ' ' TRP . 71.3 t -75.19 101.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.541 HD13 ' CE2' ' A' ' 29' ' ' PHE . 15.0 mt -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 31.6 ttp -126.12 129.95 50.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.92 158.29 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -56.63 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.8 p -103.75 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 44.6 tt0 -94.96 -36.21 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.77 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.31 -42.63 30.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.7 ttp -70.36 -32.57 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.9 -45.07 71.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.23 -47.56 85.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.456 ' CE2' HD11 ' A' ' 14' ' ' LEU . 26.6 m95 -58.49 -67.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.015 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 108' ' ' ARG . 65.3 t -42.94 -50.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -64.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 12.2 m-85 -54.86 -54.28 44.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.83 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CG ' HD12 ' A' ' 58' ' ' ILE . 37.2 mtt180 -48.75 -43.5 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -54.26 -56.45 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.2 t -63.96 -51.48 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 5.4 tmtm? -146.58 120.72 9.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.73 147.3 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.61 158.75 20.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -88.37 129.43 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 103' ' ' TRP . 27.3 mt -129.71 157.7 41.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 108.7 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -100.88 130.9 46.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.487 ' CH2' ' CG1' ' A' ' 91' ' ' VAL . 77.1 m95 -127.55 133.75 49.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -114.44 117.05 29.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -79.44 97.91 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -110.96 176.16 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -101.06 102.69 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 13.1 m-85 -88.65 143.27 27.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.27 144.66 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -110.81 125.75 53.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -141.14 128.22 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.01 -141.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -97.17 52.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -158.36 145.84 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -107.81 129.67 55.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -124.65 165.7 17.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -159.57 127.05 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 160.57 15.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 117.6 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.89 136.86 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -82.71 106.36 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 29.7 mt -61.66 -43.89 89.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 54.46 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.64 43.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.28 161.69 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.44 HG23 ' CD ' ' A' ' 59' ' ' LYS . 1.9 m -121.98 116.13 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.56 108.55 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 76' ' ' ILE . 2.8 mtpm? -117.7 143.94 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -88.94 86.1 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.7 mm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 16.9 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.64 134.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -145.66 137.59 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 2.7 pt-20 -117.1 145.28 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.71 131.27 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 2.7 mp -111.03 129.73 23.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.425 ' CB ' HG13 ' A' ' 76' ' ' ILE . 13.5 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 m-30 -85.83 90.79 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.487 ' CG1' ' CH2' ' A' ' 24' ' ' TRP . 99.3 t -76.41 100.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 14.7 mt -109.19 141.93 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.466 ' HE2' ' CE2' ' A' ' 24' ' ' TRP . 21.1 ttp -132.2 139.98 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.61 162.35 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -80.94 -48.71 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -114.73 169.26 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 57.1 tt0 -75.98 -47.0 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.09 -28.92 11.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.59 -50.66 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 100' ' ' MET . 16.0 tmm? -61.29 -38.92 88.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.47 -41.27 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -63.93 -55.96 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CD1' HD12 ' A' ' 14' ' ' LEU . 30.7 m95 -54.48 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.1 t -42.81 -50.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -47.39 -64.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 28.8 m-85 -54.14 -49.98 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.13 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -50.11 -43.78 51.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.1 t -50.53 -53.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG21 ' CD1' ' A' ' 106' ' ' PHE . 3.6 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE2' ' CG ' ' A' ' 102' ' ' GLU . 2.5 tttp -142.7 139.4 31.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -145.4 152.08 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.88 169.94 35.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -92.93 111.3 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 11.1 mt -112.72 151.53 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.65 113.45 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 19.5 tttm -104.06 125.89 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 86.7 m95 -118.91 129.65 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -112.66 115.11 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.83 101.92 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 163.02 15.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.21 100.1 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 92' ' ' LEU . 13.7 m-85 -85.52 144.61 27.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -137.45 131.83 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.33 108.02 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.47 128.68 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.64 -143.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -90.13 57.35 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.4 151.43 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -116.96 128.27 55.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 3.8 m-85 -124.02 172.83 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -158.66 136.16 10.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 29.8 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.65 168.17 13.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 p -150.48 126.01 10.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 121.87 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.98 105.79 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 16.0 mt -56.45 -43.93 99.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 81.48 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.54 41.31 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' TYR . 10.3 m -130.68 170.08 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.437 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 38.6 m -131.95 111.31 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.38 118.85 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HD2' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -126.08 148.92 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -93.64 80.19 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.0 mm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 3.0 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.528 0.204 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.92 129.29 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -147.98 141.06 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' OE2' ' CD1' ' A' ' 76' ' ' ILE . 1.2 pm0 -113.39 148.42 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 mt -114.13 128.47 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 2.7 mp -108.88 130.64 22.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.89 91.64 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.02 96.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 29' ' ' PHE . 13.3 mt -104.66 143.36 33.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.585 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 1.3 ttm -134.27 130.96 37.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -99.19 161.39 13.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 33.39 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 175.16 150.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 1.4 tt0 -66.62 -44.07 83.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.71 -28.04 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.35 -45.55 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.0 tmm? -70.41 -42.86 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.89 -42.72 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 9.6 tp10 -61.96 -67.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 45.4 m95 -44.15 -60.17 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.0 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.2 -58.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -40.07 -62.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.444 ' CD1' HG21 ' A' ' 9' ' ' ILE . 36.1 m-85 -58.56 -48.62 80.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.5 mt -53.57 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.79 49.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -55.44 -63.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.3 t -55.79 -49.06 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.659 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 5.9 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 4.5 tttp -135.43 124.81 24.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.71 123.19 38.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.69 -178.86 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.458 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 14.2 m95 -107.46 134.89 49.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.5 mt -133.8 167.07 21.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -104.59 115.11 29.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -104.82 122.27 45.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.0 m95 -121.33 133.44 55.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -117.07 117.42 29.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -68.89 103.92 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -119.67 165.21 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD2' ' NE1' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -92.4 115.0 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' A' ' 92' ' ' LEU . 11.3 m-85 -104.22 128.61 51.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.25 145.87 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.55 111.72 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -122.8 131.5 53.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.04 -141.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -91.67 52.99 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.3 mt-30 -160.02 143.58 14.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.8 tm? -107.32 119.39 39.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 19.8 m-85 -115.86 168.24 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -158.46 129.08 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.543 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 22.2 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.07 163.65 12.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.435 1.084 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.5 p -145.04 121.26 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 127.38 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -72.91 106.86 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 18.2 mt -59.59 -43.32 95.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.05 60.75 5.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.57 44.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.56 171.83 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -132.26 110.48 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' HB ' ' NH1' ' A' ' 108' ' ' ARG . 2.5 mp -87.14 102.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mtmt -102.51 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.99 107.51 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 15.0 mm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.7 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.536 0.207 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.3 t -138.14 132.99 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.26 135.37 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.2 pt-20 -112.94 142.9 45.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.17 128.95 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 mt -112.11 123.48 34.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' HG13 ' A' ' 76' ' ' ILE . 18.8 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -90.63 90.54 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.543 HG12 ' CH2' ' A' ' 24' ' ' TRP . 58.5 t -74.83 100.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -107.76 147.4 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 30.4 ttp -136.94 139.83 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.21 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.26 32.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -174.24 151.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 tt0 -73.08 -44.29 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.58 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -44.38 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.418 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.4 tmm? -73.05 -39.18 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.41 -43.99 95.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 3.1 tp10 -63.97 -55.13 24.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 14' ' ' LEU . 36.3 m95 -54.75 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 107.956 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.8 t -53.86 -50.08 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.2 -61.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.659 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 40.0 m-85 -63.39 -53.0 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.1 -58.92 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.437 ' NH1' ' HB ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -60.36 -55.23 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -39.52 -68.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.35 -54.3 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.645 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.8 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 3.1 tmtm? -124.65 137.88 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -144.97 138.87 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.11 172.12 45.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.495 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.3 m95 -95.3 129.05 42.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 ' CD1' ' A' ' 103' ' ' TRP . 18.4 mt -128.17 168.07 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.13 104.04 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -94.27 128.35 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.6 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 75.5 m95 -112.03 140.95 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -119.35 117.36 28.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.28 99.11 4.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.0 176.04 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.4 t80 -104.78 111.35 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 19.8 m-85 -98.24 136.94 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.28 138.32 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.01 107.36 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -127.17 130.44 49.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.72 -141.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.53 52.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.3 mt-30 -159.13 136.89 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.83 127.59 45.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 30.0 m-85 -122.56 165.17 16.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 126.32 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.8 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 160.84 24.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.64 128.09 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.64 119.1 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -65.24 103.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 9.8 mt -58.22 -43.94 98.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 60.09 5.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.36 44.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 m -131.95 173.9 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -134.17 112.5 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.47 111.89 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -117.69 144.94 44.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.76 112.08 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.456 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 19.2 mm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 14.1 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.525 0.203 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.437 ' CG1' ' HB ' ' A' ' 61' ' ' ILE . 78.3 t -128.36 144.21 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 -158.71 143.18 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 5.6 pm0 -116.85 149.24 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 92' ' ' LEU . 11.3 mt -111.29 121.13 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.83 128.27 26.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.38 91.26 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.27 99.26 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.1 mt -105.98 144.25 32.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 5.1 ttm -130.63 135.54 47.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.73 150.33 24.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.5 m -117.57 165.15 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 61.2 tt0 -71.93 -53.41 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.97 -26.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.54 -48.65 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.465 ' SD ' ' CG2' ' A' ' 104' ' ' VAL . 19.1 tmm? -65.22 -41.89 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.24 -50.3 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.51 -49.91 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CD1' HD12 ' A' ' 14' ' ' LEU . 36.0 m95 -57.27 -71.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 108.024 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.465 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 54.5 t -40.49 -55.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -63.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-85 -57.32 -56.2 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.7 mt -46.2 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.36 -45.54 65.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -52.34 -66.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.73 -52.68 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -110.27 146.2 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.8 74.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.67 -76.71 1.06 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 151.89 49.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p 172.67 -55.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 -171.23 23.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.0 -176.34 2.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.9 mp -116.56 -45.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' CE ' ' HB3' ' A' ' 102' ' ' GLU . 3.9 tttt -133.96 135.72 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -142.84 145.19 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.94 162.29 27.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -84.29 112.09 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 103' ' ' TRP . 26.5 mt -113.03 157.21 21.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 116.12 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 30.3 tttm -106.52 128.92 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.552 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -65.93 138.55 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.26 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 p -75.11 -64.6 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.86 55.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -146.39 158.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 38.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -116.21 166.98 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 84.9 m95 -120.83 140.64 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.66 106.69 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -73.35 100.58 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -118.74 163.48 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 1.5 t80 -88.97 103.94 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CE2' HD11 ' A' ' 92' ' ' LEU . 14.3 m-85 -88.82 142.08 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -135.98 143.01 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -110.27 108.88 19.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG3' ' CA ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -123.11 124.32 42.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.6 -142.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.5 56.28 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mt-30 -162.95 139.0 7.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.8 tm? -102.85 127.64 49.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 29.3 m-85 -123.14 167.8 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 127.5 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.4 m-85 -113.39 158.48 20.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -65.45 -39.89 92.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -143.69 179.25 7.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -98.59 40.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -125.54 -54.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 164.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.6 p -129.32 36.39 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -141.47 123.56 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -79.85 -70.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.05 150.97 17.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.3 p -136.97 119.49 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.401 ' HE1' ' CG ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -115.31 123.79 49.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -70.91 106.95 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 23.7 mt -59.05 -43.33 97.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 55.77 4.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.04 43.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.81 170.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -134.31 106.19 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.13 112.11 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.7 mtmt -116.82 129.01 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.13 110.38 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -92.28 142.15 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.66 140.01 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.7 m -66.29 -127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.06 159.28 29.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.4 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -50.19 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -47.44 148.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.02 135.13 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 70' ' ' LYS . . . 87.74 84.64 1.19 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -138.37 137.91 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 2.5 m-85 -110.8 77.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.57 137.89 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -154.26 135.25 13.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -112.02 145.08 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -103.4 127.87 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -107.01 120.96 46.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.29 41.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 162.12 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.7 m 53.4 101.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 80' ' ' TRP . 59.5 t90 -161.13 92.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.56 -47.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.14 41.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.06 84.82 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.98 43.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 45.1 mtp -128.14 -74.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.74 108.59 0.36 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -166.26 79.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.03 146.16 28.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.435 ' CB ' HG13 ' A' ' 76' ' ' ILE . 66.6 p -57.64 176.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.561 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -103.91 91.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.2 t -71.84 103.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 ' CE2' ' A' ' 29' ' ' PHE . 17.0 mt -112.74 145.38 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.506 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 56.1 ttp -139.76 134.75 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.57 153.22 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -68.49 -55.29 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -105.68 161.14 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 41.1 tt0 -70.43 -57.72 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -40.76 -29.78 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 3.8 tt0 -77.64 -49.26 14.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.2 ttp -63.99 -35.82 81.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.04 -45.57 91.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.1 -58.57 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.536 ' CD1' HD12 ' A' ' 14' ' ' LEU . 18.0 m95 -46.04 -62.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.6 t -50.72 -53.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.86 -63.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 20.6 m-85 -56.61 -54.66 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.4 mt -48.28 -62.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -43.88 77.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -71.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.5 t -48.07 -48.93 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.83 -38.21 47.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.83 -51.71 38.16 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.2 t -61.11 119.23 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.07 -173.88 23.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 84.75 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.0 m -162.21 110.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 p -77.55 -0.28 25.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -78.26 123.05 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -130.16 89.88 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.92 -84.34 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.92 141.36 25.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.786 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.54 109.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.69 -171.11 24.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.7 mt -129.13 -57.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.4 126.56 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.14 142.42 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.87 166.64 35.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.9 m95 -100.04 121.8 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' CD1' ' A' ' 103' ' ' TRP . 14.3 mt -122.26 152.76 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -87.29 113.34 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -102.19 131.31 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 125.7 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.35 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 179.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -48.81 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.49 63.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.16 8.8 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt 44.53 64.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -146.14 171.19 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CE3' ' HE1' ' A' ' 93' ' ' MET . 82.1 m95 -126.59 122.58 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.27 120.51 42.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 99.13 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 168.38 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 3.4 t80 -107.23 108.38 19.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 39.4 m-85 -100.34 136.67 39.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -130.65 135.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 ttt180 -132.43 134.7 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 47.13 -144.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.88 29.68 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 16.0 mt-30 -135.5 142.02 45.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 2.5 tm? -106.66 124.66 49.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 32' ' ' ARG . 8.3 m-85 -118.0 161.93 18.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.2 126.21 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 44' ' ' ASP . 33.2 m-85 -108.31 148.54 29.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -172.42 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.3 tt0 -77.88 -51.37 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' ASP . 3.5 mt-10 -77.29 -89.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 4.2 t70 39.67 85.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.4 p -54.04 -54.78 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.7 tpmt? -72.78 127.26 89.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.04 154.52 42.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -83.14 -55.42 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.98 172.18 23.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.33 136.45 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 124.11 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -74.72 107.6 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.651 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 27.8 mt -57.07 -43.3 99.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.05 91.15 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.91 3.69 8.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.444 ' SG ' ' CG2' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -93.15 172.95 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 m -134.3 100.57 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.19 115.27 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 14.5 mtmt -121.27 147.89 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.17 98.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 mm -74.12 130.05 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.0 149.4 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -92.57 140.14 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.47 167.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.98 4.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.95 -77.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.82 -156.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.14 61.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.0 156.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -160.52 155.6 24.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 10.0 m-30 -110.14 65.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.41 HG13 ' CH2' ' A' ' 24' ' ' TRP . 2.6 t -126.41 126.12 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -141.14 140.35 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -114.85 151.06 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.444 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 5.1 mt -107.2 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -92.82 117.01 67.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.95 42.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -39.94 -60.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.23 150.23 30.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 2.0 p90 -168.24 48.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.96 -56.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 177.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.98 -177.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -95.14 30.9 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.64 60.0 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.47 155.27 46.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 39.74 62.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.11 97.9 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 p -93.78 180.0 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.4 m-30 -100.64 91.13 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 101.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.0 mt -111.64 146.6 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.551 ' HE1' ' CE3' ' A' ' 24' ' ' TRP . 1.6 tmm? -140.61 132.02 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.43 -179.64 4.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -93.77 -47.56 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -116.52 173.06 6.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 16.3 tt0 -77.09 -44.43 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.43 -28.54 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -76.12 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.7 tmm? -57.3 -36.93 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.2 -41.38 98.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.54 -62.42 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.423 ' CD1' HD12 ' A' ' 14' ' ' LEU . 24.2 m95 -46.54 -59.29 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.6 t -51.84 -51.12 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.7 ttpt -46.55 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 31' ' ' LEU . 36.9 mt -53.68 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.63 -51.22 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 5.5 ttm-85 -39.09 -58.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.69 -43.59 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.87 52.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.39 54.54 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.2 t -106.71 160.25 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.07 172.06 0.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.46 41.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 p -169.56 145.97 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 99.6 p -165.39 88.52 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.44 157.93 5.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -178.65 144.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.25 -111.72 3.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m 51.19 99.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 p -88.39 103.92 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.02 -171.51 14.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.96 -174.51 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 106' ' ' PHE . 3.3 mt -118.5 -40.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 4.1 tmtm? -139.17 133.22 31.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.433 ' CE ' ' HG2' ' A' ' 8' ' ' PRO . 2.3 mpp? -138.14 150.68 47.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.25 163.27 26.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -88.25 120.36 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 103' ' ' TRP . 8.9 mt -119.53 150.9 39.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 1.1 mtmt -91.67 100.26 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.01 127.55 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 3.1 tt0 -58.61 123.06 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 164.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -39.71 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mt -137.29 57.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.98 9.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? 43.22 58.75 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -143.85 170.81 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 93.4 m95 -116.9 122.93 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.25 112.86 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.57 97.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -113.2 167.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.482 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 3.0 t80 -97.61 116.65 30.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CE2' HD13 ' A' ' 92' ' ' LEU . 19.0 m-85 -104.09 135.62 45.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG11 ' CB ' ' A' ' 8' ' ' PRO . 24.6 t -129.22 135.74 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -100.85 109.2 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HG3' ' CA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -121.95 116.8 24.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.64 -143.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -91.74 49.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -155.92 145.53 21.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 2.0 tm? -107.43 125.01 50.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -115.28 164.64 13.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.4 p90 -159.15 126.22 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.572 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 9.9 m-85 -117.89 156.14 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -56.77 -37.07 70.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.05 -177.38 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -101.74 46.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.02 -48.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 164.67 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.6 p -112.39 -34.42 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -76.68 128.14 82.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.07 163.28 35.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -96.33 -54.04 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.38 160.27 25.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.1 p -136.03 133.51 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.405 ' HE1' ' CG ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -118.87 124.25 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.76 107.77 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.653 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.5 mt -63.45 -43.31 78.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 88.23 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.73 -21.9 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.44 156.37 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.7 m -118.88 116.24 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 HD13 ' N ' ' A' ' 108' ' ' ARG . 2.0 mp -90.69 106.41 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 7.3 mtmt -110.89 130.6 55.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -86.17 111.01 19.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.4 mm -77.09 119.45 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.81 153.87 18.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' ASN . 44.4 m -90.03 176.92 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 63' ' ' THR . 1.4 t30 -40.42 159.26 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.56 3.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.776 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.12 31.15 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -119.53 176.58 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 172.74 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.62 146.67 35.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.73 157.54 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.2 m-85 -113.78 90.74 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.5 t -134.26 129.88 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 100' ' ' MET . 18.5 p90 -142.68 133.69 25.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -111.53 146.4 37.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.66 135.16 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 mp -114.79 129.87 24.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 78' ' ' ALA . 18.3 Cg_endo -74.96 103.98 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' SER . . . 38.9 58.5 1.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' ALA . 70.1 p 37.8 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' GLN . 39.7 t-105 -59.73 167.65 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.0 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' TRP . 4.2 tt0 -94.54 106.03 18.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 173.72 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.76 34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.4 mtp -149.78 96.56 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.12 99.97 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.484 ' O ' ' CG ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -144.7 66.76 1.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.759 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.36 -52.46 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p 52.37 174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.405 ' CG ' ' HE1' ' A' ' 51' ' ' MET . 0.5 OUTLIER -95.02 91.07 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.405 HG13 ' CH2' ' A' ' 24' ' ' TRP . 59.8 t -77.66 102.01 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.499 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.7 mt -110.96 135.87 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 1.8 ttm -124.36 132.53 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.85 157.43 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -50.01 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 97' ' ' GLN . 1.5 t -111.7 174.35 5.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 48.3 tt0 -81.28 -48.04 12.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.97 -23.85 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.03 -54.5 5.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.465 ' HG3' ' CD1' ' A' ' 73' ' ' PHE . 21.5 ttp -58.79 -33.9 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.01 -47.74 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.459 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 tp10 -56.55 -60.19 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.462 ' CD1' HD11 ' A' ' 14' ' ' LEU . 28.9 m95 -50.3 -58.62 5.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.9 t -48.33 -55.93 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.5 ttpp -40.45 -58.31 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 38.0 m-85 -62.96 -55.36 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.412 ' N ' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -53.87 -49.06 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.0 ttt180 -46.81 -60.77 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.52 -50.72 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -50.1 -31.26 12.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 148.74 -75.43 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.2 OUTLIER 80.52 97.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' SER . . . -49.32 179.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.08 11.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.8 130.45 41.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m 42.34 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -99.39 133.77 43.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -115.61 91.99 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.42 87.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -62.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -139.17 86.49 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.48 -170.86 55.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.0 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mt -119.84 -58.82 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.2 117.31 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.72 149.4 42.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.59 159.52 20.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -93.53 105.34 17.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 103' ' ' TRP . 18.3 mt -105.94 147.85 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -83.94 118.09 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -109.8 129.38 55.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -76.24 99.53 4.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.6 143.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ILE . 75.6 m -51.08 141.04 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' SER . 1.3 mt 39.23 58.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 22' ' ' LYS . 2.2 t -157.74 141.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' N ' HG13 ' A' ' 21' ' ' VAL . 8.8 mmtt -101.17 40.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -122.53 173.74 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.528 ' CE3' ' HE3' ' A' ' 93' ' ' MET . 79.1 m95 -129.79 112.08 13.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.92 118.2 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.61 101.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -108.7 149.01 29.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.25 98.04 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.514 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 30.3 m-85 -88.58 138.61 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.41 129.25 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -96.86 104.34 16.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 8.5 mtp85 -123.55 143.89 49.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.89 -144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.13 49.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.8 mt-30 -158.19 142.05 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -102.58 122.82 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 32' ' ' ARG . 11.9 m-85 -117.05 165.65 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p90 -159.89 126.52 4.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 19.7 m-85 -110.48 160.38 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 22.18 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 170.06 172.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 17.25 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.94 14.11 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 158.48 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -123.89 21.62 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.93 135.51 5.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 131.58 14.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 18.4 mm-40 -64.92 -33.99 77.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -149.33 165.22 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 p -148.31 122.47 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.34 125.36 53.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.92 107.67 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 20.3 mt -61.73 -43.01 86.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.04 55.34 3.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.98 44.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -134.42 172.41 12.94 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.8 m -134.32 112.62 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -88.65 110.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.9 mtmt -117.63 144.56 45.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.18 102.4 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -75.59 113.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.72 153.3 35.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.425 HG21 ' N ' ' A' ' 64' ' ' ASN . 2.8 m -105.11 148.31 26.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' N ' HG21 ' A' ' 63' ' ' THR . 0.3 OUTLIER 55.97 167.25 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.32 7.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -150.72 -75.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 64' ' ' ASN . 0.0 OUTLIER 40.59 49.96 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.34 -155.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.18 106.07 2.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 164.01 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 -122.18 89.26 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.4 t -143.13 137.4 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -150.36 138.19 20.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.6 pt-20 -110.76 153.45 25.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mt -111.7 121.28 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.5 mp -104.85 139.0 19.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -108.79 -45.26 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -33.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.522 ' CE2' ' HA ' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -68.2 -76.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 80' ' ' TRP . 0.5 OUTLIER 80.8 -58.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.88 174.04 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -156.24 25.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 25.33 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 mtt -168.3 87.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.12 -111.28 3.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 18.8 tm0? 67.54 90.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.23 76.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 76' ' ' ILE . 60.3 p -55.79 -179.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -96.55 90.93 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.93 103.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 29' ' ' PHE . 16.6 mt -111.94 151.46 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.528 ' HE3' ' CE3' ' A' ' 24' ' ' TRP . 27.2 ttp -140.54 144.85 36.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.55 155.53 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -60.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.9 p -97.12 -178.11 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 42.7 tt0 -90.79 -40.28 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.63 -24.8 66.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.64 -39.71 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.2 ttp -73.27 -37.38 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.942 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.12 -37.81 88.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.49 -60.75 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.526 ' CD1' HD13 ' A' ' 14' ' ' LEU . 29.9 m95 -47.17 -56.14 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.25 -48.53 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -63.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -55.3 -46.77 76.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.92 -69.69 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -42.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -51.3 -59.01 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.3 t -59.01 -51.72 69.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.4 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.11 77.24 1.06 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 t -159.71 133.46 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.74 178.48 20.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.71 5.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.05 84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.9 m -98.69 -62.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.075 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -146.05 139.76 26.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.78 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -127.78 -59.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.01 -118.52 4.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p 41.37 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 -54.45 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.4 -170.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -174.2 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 10.5 mt -116.45 -41.66 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HE2' ' CD2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -141.4 129.07 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.77 125.74 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . -167.93 -159.48 13.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.51 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 17.1 m95 -119.8 145.83 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 19.0 mt -147.08 159.53 43.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -98.38 118.49 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 16.7 tttm -114.39 136.17 53.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -66.58 135.15 53.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -174.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 m -48.32 -94.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.408 ' C ' ' CG1' ' A' ' 21' ' ' VAL . 1.7 mt -120.81 86.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' CG1' ' C ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER 178.13 150.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.37 74.63 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.75 134.79 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.489 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.2 m95 -100.93 133.0 46.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.8 113.84 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.42 103.87 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.72 159.93 31.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -78.61 126.36 30.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 92' ' ' LEU . 6.9 m-85 -117.22 118.9 33.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.9 t -118.04 149.4 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.7 118.29 32.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttt180 -127.14 131.45 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.44 -140.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -91.7 55.03 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.5 mt-30 -160.17 149.3 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.22 124.35 51.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 5.4 m-85 -120.19 165.6 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -156.13 131.4 9.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -110.6 142.84 41.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -51.69 -45.61 63.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -146.82 179.92 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.02 39.53 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.68 -59.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.58 158.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 p -108.57 -27.29 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 144.84 28.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.41 22.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -105.04 -69.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.99 167.34 13.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.2 p -149.22 128.17 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.459 ' HE1' ' CG ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -124.94 126.47 45.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER -74.98 107.84 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 28.0 mt -59.32 -43.37 96.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 57.88 4.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . 154.14 44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 17.7 m -136.64 172.35 13.14 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -134.44 113.43 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -85.68 111.3 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -118.42 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.77 108.22 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.0 mm -78.41 124.33 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.65 148.99 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 m -66.35 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -60.1 161.07 13.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.2 46.87 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -149.93 157.03 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.74 94.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.47 41.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 118.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.439 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.6 m-85 -84.62 88.73 7.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.91 143.79 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -161.0 132.87 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -107.18 152.16 24.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mt -110.48 121.32 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -101.88 125.46 36.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 78' ' ' ALA . 18.2 Cg_endo -75.0 153.9 42.08 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' PRO . . . -40.17 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m 61.12 -174.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 3.5 t90 67.83 69.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.67 168.67 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 59.01 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' ARG . 4.1 m-20 -44.56 -54.63 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 2.8 tpt180 36.76 65.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 ptp 37.95 57.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.9 113.49 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -178.25 88.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.43 -60.26 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.447 ' CB ' HG13 ' A' ' 76' ' ' ILE . 59.9 p 50.31 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.36 91.0 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.1 t -72.04 101.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 29' ' ' PHE . 16.9 mt -109.4 149.13 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.489 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -143.19 135.21 26.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.88 152.77 22.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -50.14 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 51.8 tt0 -95.78 -52.39 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.94 -26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -49.14 19.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.7 ttp -64.38 -35.98 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.4 -42.2 88.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.11 -50.99 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CD2' ' HE2' ' A' ' 10' ' ' LYS . 61.3 m95 -56.77 -50.87 70.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.26 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 10.5 m-85 -49.16 -53.46 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.66 -66.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -51.88 -38.19 55.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -54.79 42.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 77.1 t -66.17 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -50.7 -25.54 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -69.44 -75.48 0.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -57.04 116.69 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.19 -166.11 39.22 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.28 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.6 m 64.32 101.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.7 -58.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -156.84 -59.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.974 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -106.64 150.01 26.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.74 85.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -116.93 167.9 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.32 -57.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 173.92 43.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.38 37.2 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.556 HG22 ' CD1' ' A' ' 106' ' ' PHE . 4.0 mt -90.56 -53.79 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -125.71 126.23 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 135.37 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.43 170.27 42.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.0 142.35 28.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD12 ' CD1' ' A' ' 103' ' ' TRP . 31.9 mt -140.72 156.04 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -94.94 116.87 29.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -108.52 130.9 55.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.63 146.88 52.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' CG ' HG11 ' A' ' 21' ' ' VAL . 2.4 mtp180 -61.6 -177.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -47.31 72.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . 9.8 mt -132.38 -60.65 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG11 ' CG ' ' A' ' 18' ' ' ARG . 2.8 p -40.25 147.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -90.46 74.2 6.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.55 148.07 42.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.532 ' CE3' ' HE3' ' A' ' 93' ' ' MET . 77.3 m95 -101.17 129.97 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -112.61 115.93 29.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.31 115.49 11.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -129.54 173.8 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -102.73 103.79 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 92' ' ' LEU . 15.3 m-85 -92.44 132.99 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 t -127.37 136.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.51 113.81 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -128.16 136.35 51.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.06 -141.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.19 53.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -161.61 140.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -101.68 126.97 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -121.15 168.43 11.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.3 p90 -159.62 126.05 4.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 20.4 m-85 -109.12 156.07 20.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -58.73 -51.62 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -136.16 -172.83 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.17 40.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 44.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.77 155.12 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.4 t -118.62 17.19 13.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -146.78 130.93 8.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.01 154.37 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mm-40 -87.55 -52.0 5.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.5 169.02 16.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.435 1.085 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.4 p -149.16 120.25 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.04 118.43 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -64.57 106.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.1 mt -59.9 -43.5 94.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.04 56.18 4.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.55 43.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.08 170.59 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -134.25 107.07 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.423 HD12 ' CG ' ' A' ' 108' ' ' ARG . 2.7 mp -82.58 102.83 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 12.0 mtmt -100.25 124.93 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.56 101.02 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.6 mm -73.98 92.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.33 153.68 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.1 m -86.74 179.64 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -40.66 159.74 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.11 2.16 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.1 27.04 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.93 176.08 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.93 127.55 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.94 136.68 24.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 168.91 12.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.788 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.6 m-85 -123.74 89.6 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ILE . 6.5 t -139.94 133.63 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -144.34 133.63 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.02 139.03 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -95.34 123.6 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 mt -105.13 122.74 42.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 167.28 27.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.57 160.3 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.42 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 2.1 p-90 -140.26 65.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -123.8 56.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.2 77.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -110.96 40.1 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 69.51 7.78 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 ptm -143.11 138.26 29.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.67 166.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.95 55.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.12 169.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 76' ' ' ILE . 11.2 p -113.89 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -92.96 91.52 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.0 t -73.67 103.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 29' ' ' PHE . 16.5 mt -112.07 140.89 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.532 ' HE3' ' CE3' ' A' ' 24' ' ' TRP . 36.6 ttp -133.62 138.78 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.86 173.81 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -53.21 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -113.12 155.92 24.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 61.6 tt0 -62.34 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.71 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.89 -52.93 9.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.88 -35.09 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.63 -45.64 82.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.6 tp10 -59.23 -59.72 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.566 ' CD1' HD12 ' A' ' 14' ' ' LEU . 39.9 m95 -48.42 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' ARG . 50.6 t -44.27 -56.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -60.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.556 ' CD1' HG22 ' A' ' 9' ' ' ILE . 25.8 m-85 -60.94 -53.49 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.51 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.423 ' CG ' HD12 ' A' ' 58' ' ' ILE . 11.0 mtt180 -49.34 -47.39 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -49.16 -69.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.8 t -48.38 -49.93 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.38 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.95 74.04 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.52 151.55 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.96 -178.39 41.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 84.69 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.8 m -146.28 -57.16 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 m -53.47 -59.42 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 p -140.92 -48.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.28 -52.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.9 165.7 54.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.11 96.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -127.56 131.65 49.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.54 -170.06 14.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 -167.63 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.97 -56.58 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 5.2 tttp -123.2 127.52 48.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.421 ' HG2' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.96 129.86 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.61 170.82 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -94.14 126.78 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' CD1' ' A' ' 103' ' ' TRP . 18.6 mt -127.59 145.57 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -84.43 104.36 14.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -96.16 125.93 41.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' CB ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 tt0 -55.28 158.84 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.63 -178.78 4.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 m -78.31 -94.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.493 ' C ' ' CG1' ' A' ' 21' ' ' VAL . 0.6 OUTLIER -102.18 95.25 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' CG1' ' C ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER 167.3 -30.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 64.0 67.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -128.73 155.01 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 88.9 m95 -103.18 107.29 18.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.049 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -98.92 110.0 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.03 97.9 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -106.27 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -108.73 105.0 14.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.548 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 26.0 m-85 -94.76 147.13 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 8' ' ' PRO . 3.3 t -140.38 132.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -96.65 142.83 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -132.3 -153.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.86 117.92 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' ALA . 42.5 mt-30 36.28 44.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.347 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 3.0 mt-30 -165.25 153.31 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.8 tm? -130.1 137.22 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 35' ' ' GLN . 3.1 m-85 -130.35 165.56 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -157.9 128.51 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 22.5 m-85 -114.12 147.52 38.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 7.9 mttm -58.08 -40.71 81.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.97 -176.85 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 42.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -58.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.07 169.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -114.15 -43.54 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -83.73 147.52 52.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.421 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 167.08 27.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -100.03 -38.96 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.29 166.16 25.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.2 p -142.5 126.73 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.67 133.97 49.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.16 106.46 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.644 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 15.9 mt -56.63 -44.1 99.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.08 0.45 8.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.489 ' SG ' ' CG2' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -87.09 178.4 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -134.77 99.81 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.78 110.21 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -118.68 139.12 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.39 102.99 15.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.97 134.79 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.34 146.84 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -70.77 -5.52 30.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' CG ' ' HD2' ' A' ' 65' ' ' PRO . 3.5 t30 -160.09 153.47 18.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 64' ' ' ASN . 18.3 Cg_endo -75.01 51.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -177.65 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.49 153.53 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.67 61.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.81 -46.22 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.2 m-85 -85.64 72.78 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.36 127.55 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 11.4 p90 -144.5 131.08 19.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -107.39 151.37 25.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.489 ' CG2' ' SG ' ' A' ' 56' ' ' CYS . 7.0 mt -109.73 119.3 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -103.8 115.49 63.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.4 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.94 151.8 40.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.62 -39.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.7 t -57.03 -69.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.034 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 64.5 t90 46.45 90.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 108.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -49.42 136.97 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -112.01 133.57 54.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.46 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.09 88.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ptm 38.34 43.29 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.9 -166.14 41.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 57.14 67.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.72 -56.86 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.447 ' CB ' HG13 ' A' ' 76' ' ' ILE . 39.8 p 52.32 175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.72 91.19 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 17' ' ' GLN . 64.5 t -72.28 102.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.548 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 17.5 mt -112.26 137.89 49.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.561 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -131.1 134.98 47.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.24 140.67 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -58.91 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 p -98.98 171.72 7.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.6 tt0 -81.53 -51.81 7.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.19 -28.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.17 -47.55 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.9 ttp -66.01 -33.64 76.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.58 -48.16 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 7.6 tp10 -58.46 -51.91 67.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.489 ' CD1' HD12 ' A' ' 14' ' ' LEU . 34.6 m95 -56.44 -63.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 t -46.32 -45.13 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.79 -63.13 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -56.59 -42.62 78.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.406 ' CD2' HD11 ' A' ' 31' ' ' LEU . 36.1 mt -61.05 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -39.73 57.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.1 ttt85 -55.06 -58.64 6.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.93 -40.64 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.49 -34.56 58.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 51.58 74.39 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 m -161.81 155.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.48 -170.17 13.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 105.11 2.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.71 166.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -80.05 116.91 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.94 144.55 31.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -179.13 114.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 116.41 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -145.54 162.04 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -167.03 112.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.83 -171.07 55.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.61 7.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -114.67 -61.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 7.9 tttp -124.24 134.63 53.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.431 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 mtm -133.75 122.51 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.66 166.48 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -84.87 128.84 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD13 ' CE2' ' A' ' 103' ' ' TRP . 19.7 mt -130.53 150.73 51.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -86.07 138.09 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -136.33 116.59 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -43.06 155.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -90.28 -4.77 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.93 143.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mt 71.23 -63.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.5 p -84.23 152.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 76.26 7.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -149.09 147.4 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.518 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 59.6 m95 -107.03 140.81 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -117.28 109.88 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 100.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -121.09 159.56 25.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.5 136.26 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 92' ' ' LEU . 14.8 m-85 -131.23 118.91 21.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' CB ' ' A' ' 11' ' ' MET . 22.1 t -118.13 159.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -122.6 137.87 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -137.47 128.52 27.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.23 -102.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -126.41 62.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 20.1 mt-30 -162.29 148.24 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -111.55 117.31 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 27.9 m-85 -117.01 161.76 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -151.93 132.06 13.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.49 149.55 34.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 1.5 mmtt -57.91 -43.28 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -162.58 166.6 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -33.8 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.51 -59.77 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.25 141.64 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.4 p -113.17 -36.3 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.32 139.18 41.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.47 13.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.95 -87.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.56 31.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.22 125.86 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -76.27 106.97 8.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 6.9 mt -58.68 -43.56 98.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 55.53 4.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.78 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.7 170.72 14.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -130.7 107.59 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.31 109.22 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 3.1 mtmt -118.21 127.74 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.65 105.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 32.6 mm -68.29 119.62 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.48 147.81 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 m -81.59 4.53 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.89 167.75 0.23 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -42.52 58.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.96 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 54.9 91.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.06 -49.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -54.95 142.58 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 -79.45 88.24 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.1 t -137.34 144.14 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -163.57 140.13 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -115.12 144.46 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.5 mt -103.65 129.49 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.0 mp -109.29 122.7 38.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 159.74 40.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.72 154.97 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.48 74.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -173.52 168.17 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER 75.54 115.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 174.79 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.95 169.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -117.09 48.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.83 85.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.94 -166.1 24.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.21 -55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 80' ' ' TRP . 57.8 m-20 61.37 81.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.429 ' CB ' HG13 ' A' ' 76' ' ' ILE . 74.8 p -175.8 177.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -109.21 91.25 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG1' ' CH2' ' A' ' 24' ' ' TRP . 84.8 t -70.92 99.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 29' ' ' PHE . 15.2 mt -109.25 149.22 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.475 ' HE1' ' CE2' ' A' ' 24' ' ' TRP . 18.0 ttp -140.51 143.3 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.55 146.38 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.3 m -95.77 38.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 179.83 139.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 40.0 tt0 -63.03 -48.36 79.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.75 68.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.03 -52.73 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 21.5 ttp -61.85 -34.09 75.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.98 -50.38 49.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.443 ' HG2' ' CE ' ' A' ' 10' ' ' LYS . 1.4 tp10 -55.3 -51.11 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.515 ' CE2' HD13 ' A' ' 14' ' ' LEU . 45.7 m95 -57.26 -68.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -43.96 -45.72 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -60.28 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -60.65 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.46 -67.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -44.78 56.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -55.17 -70.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.5 t -47.51 -51.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.07 -41.96 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.89 -66.9 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 t -39.42 104.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.08 -166.14 28.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.71 39.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.9 p -63.23 159.29 18.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.44 111.58 21.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.28 -58.2 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -156.82 157.92 35.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.16 89.82 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -79.82 -68.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -148.71 140.55 23.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.54 -171.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.97 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.9 mt -106.49 -68.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -128.81 136.52 50.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.9 143.14 50.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.82 165.53 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -97.88 123.98 42.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 64.8 mt -124.41 145.92 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -89.75 112.19 23.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -96.29 142.28 28.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.17 130.08 35.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.56 164.41 25.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 p -74.23 136.48 42.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 66.01 -84.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -49.48 120.91 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.31 68.7 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.02 139.79 53.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.521 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 95.3 m95 -88.91 140.61 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 11.4 tp60 -122.91 113.09 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.5 105.4 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -121.45 167.69 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 2.3 t80 -100.6 105.55 16.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' HD13 ' A' ' 92' ' ' LEU . 28.1 m-85 -95.51 135.64 36.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.48 145.88 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.88 130.18 55.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -150.57 143.49 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 43.0 -139.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -103.8 44.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -152.27 141.8 21.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -99.79 129.03 45.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 11.1 m-85 -122.51 162.86 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -159.93 132.26 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.3 m-85 -117.13 150.45 38.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -54.16 -25.67 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -165.31 -172.88 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -103.34 43.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.12 24.39 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -120.46 -176.32 3.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.4 p -127.91 -46.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.85 139.25 27.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.4 38.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 2.7 mm-40 -79.36 -46.5 17.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.06 171.55 19.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.1 p -150.61 127.5 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.18 145.29 47.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -91.37 106.94 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 21.8 mt -63.93 -44.13 77.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 65.65 6.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -127.56 160.29 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 111.74 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.4 mp -85.56 99.09 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mttt -92.72 132.08 37.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -95.06 84.81 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 61' ' ' ILE . 2.3 mm -68.05 132.43 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.91 153.83 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.7 m -75.08 -1.05 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.48 166.0 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.68 8.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -90.78 -64.39 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -40.46 136.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' LYS . . . -44.43 137.49 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.67 93.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -51.77 151.09 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 -73.98 68.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.6 t -137.73 122.01 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -138.06 141.08 40.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.6 pt-20 -114.28 132.52 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 92' ' ' LEU . 7.0 mt -90.6 125.69 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 59' ' ' LYS . 4.0 mt -108.75 122.04 41.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -74.96 81.23 2.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' PRO . . . 47.23 -173.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 p -41.04 113.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 88' ' ' ASP . 87.8 t90 -124.61 105.3 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.42 48.96 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' ARG . 4.4 mt-30 42.84 -99.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.7 t30 68.29 -67.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -179.46 42.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 30.6 mtp -144.74 134.28 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.37 170.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.15 -32.52 10.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER 176.49 171.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 32.5 p -58.3 179.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -99.6 90.73 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 62.0 t -74.37 99.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD13 ' CE2' ' A' ' 29' ' ' PHE . 14.3 mt -109.78 138.16 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.521 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 29.2 ttp -126.73 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.53 138.89 41.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 p -60.77 -49.71 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -109.26 -176.01 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 44.4 tt0 -92.9 -51.97 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.91 -25.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -53.85 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 34.5 ttp -56.62 -38.14 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.4 -55.08 35.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 1.8 tp10 -56.83 -41.02 77.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.491 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 9.7 m95 -62.63 -64.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.6 t -51.65 -46.24 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -64.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 22.3 m-85 -60.06 -55.95 27.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 mt -42.6 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -53.35 -50.87 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -71.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 49.6 t -50.0 -53.0 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.5 -26.87 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . 62.39 86.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.02 107.64 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.22 -172.46 14.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 142.35 27.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.2 p -136.91 118.99 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.97 121.17 8.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 m -146.15 154.9 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -108.68 93.88 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.04 91.91 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -176.22 92.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -72.99 133.26 44.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.69 -171.11 18.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 20.5 mt -124.35 -60.75 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 2.2 tmtm? -126.08 126.43 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 146.38 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . 176.21 -153.55 14.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -123.01 156.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 6.7 mt -155.55 139.64 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -81.34 109.52 15.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -101.62 124.32 47.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.39 142.61 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -85.53 163.55 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 m -74.19 135.28 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 mt 66.42 -81.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -50.59 123.18 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 73.12 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -136.79 135.46 38.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.518 ' CH2' ' CG1' ' A' ' 91' ' ' VAL . 59.0 m95 -87.46 134.54 33.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' HG2' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -118.12 119.05 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 109.54 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 8.8 mmt-85 -124.29 177.29 5.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -99.89 133.4 44.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' A' ' 92' ' ' LEU . 15.1 m-85 -125.86 132.57 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.11 143.19 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.54 113.1 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -93.9 -73.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.36 129.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 42.15 30.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.1 mt-30 -164.23 136.4 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -109.9 123.06 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 46.8 m-85 -117.16 158.71 23.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -156.08 129.74 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -104.78 147.79 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 15.0 mttt -54.84 -47.32 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.89 -176.53 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.6 45.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -125.87 -58.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 167.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.2 t -126.09 51.17 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.19 142.29 4.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.69 17.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -113.09 -72.54 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.09 21.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.8 p -150.47 118.2 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.11 123.32 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 108.8 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.65 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 21.6 mt -59.37 -43.22 96.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 57.41 4.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.3 43.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.9 m -136.37 170.28 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.464 HG23 ' CD ' ' A' ' 59' ' ' LYS . 5.1 m -130.6 110.88 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.4 mp -89.96 102.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' CD ' HG23 ' A' ' 57' ' ' THR . 23.8 mtpt -107.81 148.92 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -94.47 124.6 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 8.8 mm -103.95 147.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.66 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 m -99.58 137.16 38.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.08 167.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.79 84.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.67 42.44 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.13 55.74 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.34 -167.4 3.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -173.86 153.7 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 13.7 m-85 -88.86 65.07 7.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.7 t -128.16 151.01 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -160.36 145.5 14.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.468 ' OE2' ' CD1' ' A' ' 61' ' ' ILE . 1.6 pm0 -117.77 142.32 47.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.68 121.99 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 3.5 mt -105.55 127.79 27.81 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 168.77 24.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' TRP . . . -66.49 -68.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -58.21 85.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 174.13 60.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.69 -50.91 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -170.33 142.55 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.09 43.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmt -145.46 -62.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.8 109.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.78 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.37 128.19 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p 179.17 -174.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -101.96 91.73 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.518 ' CG1' ' CH2' ' A' ' 24' ' ' TRP . 93.7 t -79.68 98.13 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' A' ' 29' ' ' PHE . 12.6 mt -106.26 150.95 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 17.7 ttp -139.95 137.78 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.81 164.09 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -51.06 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -115.49 160.51 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.4 tt0 -64.74 -49.82 69.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.79 -33.48 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.05 -54.46 8.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' A' ' 100' ' ' MET . 17.6 tmm? -57.32 -38.51 74.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.82 -43.05 99.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.467 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 3.7 tp10 -62.76 -57.24 11.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.409 ' CE2' HD12 ' A' ' 14' ' ' LEU . 40.4 m95 -53.71 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 107.976 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 108' ' ' ARG . 41.6 t -41.82 -51.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 5.4 ttpp -44.86 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 27.9 m-85 -55.34 -47.72 75.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.4 mt -55.32 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 1.2 mtt-85 -53.14 -55.96 20.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -38.42 -56.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.23 -54.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.27 -22.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -134.16 52.72 0.8 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 127.61 33.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.11 -172.77 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.09 33.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -92.7 143.68 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.1 t -86.15 139.32 31.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -64.47 160.51 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 0.804 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.53 -59.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.71 -79.69 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m 63.39 87.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 110.041 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.65 78.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.67 -170.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -169.81 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.573 HG23 ' CE1' ' A' ' 106' ' ' PHE . 37.9 mt -108.95 -72.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 5.5 tmtm? -124.04 133.13 53.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 144.83 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.99 172.94 45.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.9 m95 -103.1 125.63 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 HD11 ' CE2' ' A' ' 103' ' ' TRP . 7.4 mt -124.77 144.49 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.59 105.67 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' A' ' 38' ' ' TYR . 24.9 tttt -99.84 129.52 45.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -53.97 124.14 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.45 173.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -42.22 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -141.0 60.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.92 11.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 43.69 51.51 6.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -136.81 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 89.3 m95 -114.37 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -111.09 118.74 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 113.92 8.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -122.76 165.75 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.6 t80 -100.51 104.19 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' ' 92' ' ' LEU . 28.1 m-85 -93.1 134.65 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.55 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.09 126.02 43.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -118.62 -79.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.46 -150.23 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -74.76 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -165.0 145.71 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.64 123.05 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 47.6 m-85 -110.71 154.47 23.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 p90 -159.67 127.62 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.1 m-85 -119.6 135.98 54.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -23.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -160.62 171.21 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.91 49.33 1.02 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.68 -69.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 160.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -113.86 39.82 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -144.23 130.27 9.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.05 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -47.67 -24.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.43 37.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.69 133.2 26.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.89 122.42 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -67.41 107.72 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.645 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 28.3 mt -62.12 -43.17 85.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.69 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.79 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 1.1 m -134.47 110.52 9.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.47 103.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' HD2' ' CG2' ' A' ' 57' ' ' THR . 12.8 mtpp -110.99 141.44 44.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.74 91.59 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.9 mm -73.37 119.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.25 152.68 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 162.77 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 55.19 169.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.58 8.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -117.47 -74.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.75 -156.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.15 46.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.92 95.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 38.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 9.0 m-85 42.77 80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.8 t -138.24 124.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.59 138.24 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -117.99 145.08 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.441 HD13 ' CD1' ' A' ' 92' ' ' LEU . 8.1 mt -103.95 132.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 2.2 mp -110.69 126.94 27.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 76' ' ' ILE . 18.4 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 100.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -174.71 72.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.044 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.18 102.59 6.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.28 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.06 143.43 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.55 -10.81 18.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 ptm -158.53 37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.24 150.43 22.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.566 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 1.3 tt0 -170.49 82.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLN . 16.9 t70 -40.29 -57.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.425 ' CB ' HG13 ' A' ' 76' ' ' ILE . 84.1 p 53.01 172.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.32 90.59 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG11 ' CZ3' ' A' ' 24' ' ' TRP . 53.2 t -72.0 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CE2' ' A' ' 29' ' ' PHE . 18.5 mt -109.29 138.09 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -132.44 121.02 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.26 159.14 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.2 p -81.96 -42.72 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -124.57 145.77 49.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 tt0 -51.71 -47.45 63.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.36 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.69 88.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.0 ttp -69.16 -59.91 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -39.99 -56.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -59.65 -49.74 76.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.507 ' CE2' HD11 ' A' ' 14' ' ' LEU . 6.5 m95 -53.72 -71.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' TRP . 41.2 t -40.39 -50.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -47.19 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 9' ' ' ILE . 16.2 m-85 -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.75 -70.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 112' ' ' GLY . 6.0 mtt180 -51.15 -50.92 58.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -38.22 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.0 t -50.42 -51.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.7 14.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -128.85 52.8 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.0 t -62.0 112.21 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 54.78 -170.62 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -77.62 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.25 88.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.8 -55.56 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.47 116.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.59 166.33 12.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.93 81.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -39.77 43.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.82 -171.15 24.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.655 ' CG2' ' CD1' ' A' ' 106' ' ' PHE . 5.2 mt -120.81 -63.32 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -125.13 141.48 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.42 ' HG2' ' CG2' ' A' ' 30' ' ' VAL . 29.7 mtm -140.14 141.8 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.66 173.81 46.08 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -99.1 117.12 32.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD12 ' CD1' ' A' ' 103' ' ' TRP . 26.3 mt -117.32 151.05 37.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.52 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' NZ ' ' CE2' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -104.2 127.77 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' NE2' HG13 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -60.0 127.94 34.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 166.95 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -96.06 145.32 25.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt 70.78 -75.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 22' ' ' LYS . 1.6 p -58.23 -17.01 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' VAL . 2.6 mptt 38.99 64.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 171.51 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 88.9 m95 -100.84 102.28 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 108.015 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -94.91 117.71 30.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -69.03 122.64 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.7 mmp_? -134.86 156.35 49.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.62 100.9 13.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' A' ' 92' ' ' LEU . 20.0 m-85 -89.79 141.66 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 19.3 t -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -108.99 112.45 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.46 127.22 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 48.2 -138.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.07 44.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.5 mt-30 -150.9 136.62 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -100.24 124.59 45.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 26.2 m-85 -119.57 164.97 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -159.61 128.48 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.045 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.9 m-85 -112.15 166.72 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -40.45 88.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 5.0 p30 -154.21 -175.28 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.17 37.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -138.9 36.2 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.92 155.23 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -114.38 -7.59 12.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -128.58 140.48 38.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.5 Cg_endo -74.92 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.803 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.7 mm-40 -99.31 -50.81 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.34 127.8 4.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.07 140.02 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.459 ' HE3' ' CG ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -129.52 115.39 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -63.14 104.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.642 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 20.3 mt -57.98 -43.68 98.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 54.79 3.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.9 43.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.91 170.45 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.0 m -133.93 109.4 9.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.01 121.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' HD3' ' CD1' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -127.81 150.48 49.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -96.32 82.38 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.1 mm -67.89 99.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.76 153.13 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.8 m -61.05 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -45.8 159.9 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.54 15.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -116.97 51.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -148.22 150.46 33.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.99 92.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.8 -57.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.438 1.087 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 116.34 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.3 m-85 -82.82 96.43 8.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.47 141.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -149.27 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.446 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 1.2 pt-20 -117.59 145.77 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 92' ' ' LEU . 4.1 mt -107.78 129.57 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 3.4 mt -111.88 121.98 38.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' CG ' ' HE3' ' A' ' 51' ' ' MET . 18.2 Cg_endo -75.07 150.13 37.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.53 124.38 9.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.0 t 60.44 74.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.499 ' CD2' ' O ' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -44.99 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.032 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -149.37 170.3 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -94.61 99.11 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -149.08 90.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? 38.88 36.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 mtt -155.94 87.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 40.91 -151.46 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.77 38.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -172.28 -67.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.44 ' CB ' HG13 ' A' ' 76' ' ' ILE . 20.5 p -174.09 -177.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.532 ' CE2' ' NZ ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -105.73 90.76 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 HG13 ' NE2' ' A' ' 17' ' ' GLN . 81.4 t -76.5 103.07 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -112.02 147.29 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.478 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 31.3 ttp -133.08 142.05 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.43 162.82 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 m -80.73 -56.75 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -108.36 153.55 23.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.0 tt0 -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.05 -30.71 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.75 -49.73 17.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -62.61 -35.72 80.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.06 -43.32 87.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -66.7 -55.59 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.534 ' CD1' HD12 ' A' ' 14' ' ' LEU . 7.8 m95 -50.0 -55.17 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.19 -49.48 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -41.21 -61.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.655 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 36.7 m-85 -63.54 -53.77 46.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 mt -44.86 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -52.65 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLY . 11.3 ttm180 -41.79 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.4 t -46.23 -52.25 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.43 -34.04 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' ARG . . . -55.9 -54.21 36.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.54 77.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 45.19 -168.48 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.91 29.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.7 p -54.64 102.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 m -108.38 148.29 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.76 -62.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.47 95.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.63 69.59 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 158.24 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.032 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 165.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.1 -171.01 45.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.02 -166.19 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 106' ' ' PHE . 5.7 mm -119.46 -60.01 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -133.89 135.94 43.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 128.9 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 169.33 40.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.7 m95 -98.7 115.55 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' A' ' 103' ' ' TRP . 52.0 mt -118.24 145.94 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -84.7 125.28 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -112.84 129.41 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.26 147.12 52.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HB2' ' CG1' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -96.42 -174.75 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -98.08 128.21 44.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm 73.23 -68.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 18' ' ' ARG . 8.1 p -55.15 -19.35 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' VAL . 7.6 mptt 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -94.2 141.99 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 96.0 m95 -82.47 121.29 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.4 112.79 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 103.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.67 151.59 34.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.9 t80 -83.97 98.68 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 92' ' ' LEU . 21.8 m-85 -87.53 132.41 34.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -126.92 145.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -110.61 119.21 38.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -129.9 119.11 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.45 -142.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -86.41 57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 8.6 mt-30 -164.2 145.81 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 2.0 tm? -116.61 119.83 36.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 5.5 m-85 -114.49 164.16 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -158.69 126.51 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.4 m-85 -116.21 129.72 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -24.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -149.66 168.25 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -103.92 50.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.2 -58.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.03 164.24 18.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t -111.53 2.05 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 126.57 32.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.05 141.69 26.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -77.61 -40.66 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.26 169.82 23.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.02 136.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.97 130.96 40.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -83.1 106.86 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.633 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 17.7 mt -55.1 -44.5 99.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' CA ' ' A' ' 78' ' ' ALA . . . 118.4 33.5 1.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 19.9 m -128.67 174.87 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 m -134.12 111.8 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.45 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.14 103.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -103.4 144.95 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -102.52 115.32 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.45 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 14.0 mm -83.93 107.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.01 153.79 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 89.8 m -92.29 175.04 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -41.46 159.8 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.27 2.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -95.68 34.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.92 171.92 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.97 150.75 33.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.51 140.54 24.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.8 138.45 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 21.1 m-85 -104.11 94.04 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.24 144.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -154.99 137.95 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.45 ' OE2' ' CD1' ' A' ' 61' ' ' ILE . 4.8 pm0 -111.51 145.1 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.461 HD12 ' CD1' ' A' ' 92' ' ' LEU . 3.8 mt -103.69 109.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.93 130.34 48.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.448 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.96 161.22 39.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' CA ' ' O ' ' A' ' 55' ' ' GLY . . . -53.56 -53.87 45.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.1 p -86.81 147.4 25.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 1.6 p90 -168.51 54.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -139.89 -63.26 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.13 76.91 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -171.36 169.25 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -117.71 59.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mmt -135.55 119.75 17.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 -78.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -109.67 54.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 0.735 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -41.44 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p -174.18 160.48 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -93.12 91.5 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.55 99.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.8 mt -107.99 151.84 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -140.27 134.77 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.04 165.35 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -81.07 -48.38 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -114.07 165.36 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 59.3 tt0 -74.0 -49.46 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.87 -26.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -79.65 -49.61 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 31.6 ttp -64.59 -34.16 77.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.12 -43.96 85.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -56.33 19.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.508 ' CD1' HD12 ' A' ' 14' ' ' LEU . 38.7 m95 -49.42 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 108' ' ' ARG . 53.9 t -43.51 -56.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -61.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.564 ' CD1' HG22 ' A' ' 9' ' ' ILE . 28.4 m-85 -59.1 -55.12 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.59 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -52.41 -46.72 66.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -47.61 -62.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 19.4 t -59.99 -46.47 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.68 -22.63 47.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -64.61 -61.6 5.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.51 146.59 9.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 155.06 178.76 29.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.55 9.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.71 167.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.0 m -52.54 154.03 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -168.1 145.81 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -152.07 80.64 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.22 -109.15 2.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -171.85 126.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.964 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -112.87 70.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.41 -171.05 49.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' CG2' ' CD1' ' A' ' 106' ' ' PHE . 57.9 mt -122.11 -49.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 9.8 tttp -141.06 138.49 33.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mtm -132.12 132.44 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 165.25 36.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.67 126.26 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 4.8 mt -125.77 157.46 37.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.33 103.7 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -91.47 117.81 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 27.7 tt0 -75.54 134.0 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -175.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' VAL . 64.5 m -99.31 141.34 32.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.9 mt 68.77 -68.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . 7.2 p -63.03 137.14 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 76.45 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 23' ' ' ASN . 23.3 p30 -132.43 161.5 33.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 79.3 m95 -126.92 124.56 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.79 114.63 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.63 103.13 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -116.86 176.01 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -100.38 102.94 14.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 92' ' ' LEU . 11.0 m-85 -87.26 135.12 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.8 122.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -96.82 143.49 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -129.82 -151.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.73 119.88 24.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' HA ' ' CG1' ' A' ' 110' ' ' VAL . 50.3 mt-30 37.19 44.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.5 mt-30 -165.33 151.09 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD2' HD12 ' A' ' 31' ' ' LEU . 3.1 tm? -126.94 141.8 51.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.58 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.6 m-85 -137.74 165.61 25.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.65 126.96 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 41.9 m-85 -113.31 166.58 11.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -69.58 -40.93 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.62 -176.88 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.15 46.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.63 -46.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.3 172.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.8 p -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.97 132.05 94.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.556 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.03 156.16 42.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -91.06 -39.87 11.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.98 172.8 29.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.43 137.82 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.41 ' CE ' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -130.89 128.96 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 0.7 OUTLIER -79.35 113.58 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.686 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 16.1 mt -63.89 -41.59 64.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.54 12.47 21.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 111' ' ' ALA . 15.3 p -89.09 166.15 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -134.54 100.53 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.61 115.78 26.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -119.7 120.99 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.66 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -86.57 143.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.32 153.04 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 29.7 m -85.2 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.41 158.99 18.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.46 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -55.49 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.44 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.87 45.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.85 174.44 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 167.74 20.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 8.6 m-85 -83.46 63.04 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.04 132.86 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -143.01 139.48 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -113.3 137.24 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.5 126.48 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 HG13 ' CB ' ' A' ' 89' ' ' SER . 3.1 mt -105.59 126.44 30.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 156.17 43.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.42 65.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.62 83.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -150.99 120.43 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.62 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -79.57 134.63 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 82' ' ' GLN . 10.8 p30 46.15 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -157.98 30.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.5 mtp -110.64 150.35 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.29 -96.22 0.95 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.62 66.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' OD2' ' CG ' ' A' ' 84' ' ' ARG . 1.3 m-20 -40.9 -52.32 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 63.1 p -159.29 -178.0 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' OH ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -105.68 91.13 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 19.3 t -76.6 96.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 29' ' ' PHE . 11.0 mt -104.61 145.83 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.519 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 32.3 ttp -132.54 142.02 49.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.02 150.55 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.39 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -106.12 -174.25 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 53.3 tt0 -95.78 -46.8 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.01 -30.96 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -77.2 -46.79 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.0 ttp -63.34 -36.63 84.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.92 -41.81 95.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 9.0 tp10 -67.83 -47.07 70.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 10' ' ' LYS . 11.5 m95 -54.5 -61.1 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.4 t -51.89 -46.86 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CE ' ' OE2' ' A' ' 102' ' ' GLU . 11.6 ttpp -43.94 -67.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 28.4 m-85 -55.56 -57.71 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.6 mt -44.31 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' ARG . 3.6 mtt180 -54.89 -53.99 48.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -37.71 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 34' ' ' GLN . 58.0 t -46.42 -47.74 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -54.1 -36.91 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ARG . . . -121.3 51.06 0.8 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -103.59 155.39 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.75 -168.88 16.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.03 3.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.3 m -143.75 149.39 37.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.941 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.7 p -133.97 -57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.59 157.97 44.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -55.11 170.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.055 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.14 179.79 16.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -135.39 -56.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.68 160.26 22.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.3 173.58 0.88 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.97 6.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 HG22 ' CE1' ' A' ' 106' ' ' PHE . 9.2 mt -102.57 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' SD ' ' A' ' 11' ' ' MET . 4.4 tttt -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 10' ' ' LYS . 3.8 mpp? -147.53 144.69 28.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 162.89 29.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.461 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 12.8 m95 -91.87 113.39 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD12 ' CD1' ' A' ' 103' ' ' TRP . 24.1 mt -113.61 172.93 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.52 111.44 22.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -104.36 126.83 51.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 159.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -93.87 172.77 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.4 m -67.26 97.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mm 72.26 -66.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 18' ' ' ARG . 2.3 p -43.27 129.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 70.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -133.85 139.79 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 85.3 m95 -99.54 133.68 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -113.76 118.58 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.77 97.42 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -114.17 165.4 12.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 2.6 t80 -96.71 106.3 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.567 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 26.2 m-85 -92.3 140.91 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.4 t -131.08 135.21 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.47 107.08 17.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 74.1 ttt180 -127.25 146.07 50.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.66 -143.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.15 39.87 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.2 mt-30 -146.07 138.26 25.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.9 tm? -100.93 125.23 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 8.3 m-85 -119.62 163.89 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -158.67 128.76 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -112.33 138.68 48.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 4.4 mttp -48.09 -44.95 32.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.77 -176.8 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -116.01 57.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -142.93 -49.53 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.39 177.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -131.9 6.83 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.64 129.81 23.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 156.84 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -99.54 -57.42 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.03 145.59 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.9 p -124.72 136.37 53.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.73 119.93 31.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.21 105.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.648 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 53.7 mt -59.72 -43.47 95.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.3 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 3.5 m -135.03 170.81 15.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.2 m -134.73 106.83 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -79.01 110.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -111.67 143.18 42.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -91.14 125.54 35.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 4.7 mp -107.15 127.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.2 153.45 23.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -66.76 -9.04 32.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -156.73 153.74 25.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -178.11 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -54.6 147.59 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.53 54.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 71' ' ' PHE . . . -120.73 -59.78 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.7 135.4 19.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.7 m-85 -99.56 86.37 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.8 t -135.38 133.88 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -143.78 155.41 44.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -127.97 139.82 52.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.59 117.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.94 134.54 24.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 54.95 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.44 73.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.98 77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -148.63 -63.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.81 95.84 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 169.08 156.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -133.45 55.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 mtt -162.66 62.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.53 88.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -125.24 61.73 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -115.4 117.67 31.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.2 p -121.35 -172.45 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -108.46 91.09 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.0 t -76.67 99.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.567 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 15.8 mt -107.12 144.58 33.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 ttp -130.69 140.29 50.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.62 156.17 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p -81.34 -42.42 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -117.32 156.24 28.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 46.4 tt0 -68.78 -49.78 55.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.44 -30.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.45 -50.68 11.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.75 -34.93 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.23 -43.69 90.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.41 -57.71 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.501 ' CD1' HD12 ' A' ' 14' ' ' LEU . 33.2 m95 -45.61 -61.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.02 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.2 t -49.95 -51.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -46.74 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.486 ' CE1' HG22 ' A' ' 9' ' ' ILE . 30.6 m-85 -54.13 -52.0 62.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 mt -52.16 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -50.5 -45.08 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -47.86 -67.8 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.0 t -54.17 -52.66 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.19 -27.4 8.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -68.95 -74.69 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m -68.77 111.2 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.99 172.61 15.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.73 4.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.18 127.88 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.14 116.24 5.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m 61.82 150.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -135.65 -53.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.7 77.99 1.26 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 71.57 88.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -49.83 123.89 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.32 -171.24 29.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.117 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.1 Cg_endo -75.01 179.13 6.39 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.433 1.754 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 15.9 mt -116.15 -62.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 7.8 tmtm? -128.56 129.64 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mtm -129.7 154.56 47.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.53 161.36 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -91.57 112.58 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 17.4 mt -111.01 156.51 21.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 2.9 mtmt -97.22 108.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 47.9 tttp -100.34 128.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 146.23 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.01 177.95 8.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 m -81.08 134.17 35.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mt 66.86 -80.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.64 145.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.53 68.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.18 141.52 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 91.3 m95 -94.37 127.51 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 107.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -111.66 117.45 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 100.62 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -116.77 160.13 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.12 102.39 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 17.8 m-85 -88.74 141.44 28.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.4 t -135.87 139.01 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -105.99 121.87 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 4.4 mtp-105 -142.81 129.16 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.67 -140.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -101.75 30.91 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -138.81 138.61 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.9 tm? -99.78 130.3 45.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -122.67 161.91 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -153.54 132.45 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 9.1 m-85 -118.32 168.9 10.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -78.83 -43.89 24.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.05 174.11 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 47.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.39 -53.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.9 154.72 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -113.39 7.37 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.5 tttp -115.96 133.53 22.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 151.91 40.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 15.1 mm100 -92.42 -46.18 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.98 166.7 17.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -149.24 115.9 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.76 123.33 46.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -69.81 104.64 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 10.1 mt -57.08 -43.84 99.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.07 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.768 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.65 43.42 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 52' ' ' TYR . 15.5 m -131.57 173.47 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -134.44 103.95 5.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.418 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 HD12 ' CG ' ' A' ' 108' ' ' ARG . 2.4 mp -81.44 102.08 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -105.72 146.25 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -99.35 98.96 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.8 mm -73.53 138.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.59 151.52 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.5 m -86.64 -121.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.34 169.63 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 18.6 Cg_endo -74.95 133.07 16.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 38.94 55.56 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.15 -175.12 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.6 46.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.69 -156.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -170.09 33.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 49.33 59.73 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.8 t -124.02 128.2 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -143.11 136.47 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -110.58 139.05 46.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.468 HD12 ' CD1' ' A' ' 92' ' ' LEU . 23.5 mt -99.4 117.17 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.431 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.3 mt -97.45 123.12 53.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.98 171.07 19.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.27 166.43 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m 50.03 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 175.41 71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -134.82 98.42 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 172.97 120.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -91.52 82.8 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 176.33 96.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 50.3 mtp 63.49 86.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 150.3 -126.37 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.03 83.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -120.67 165.41 15.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.409 ' CB ' HG13 ' A' ' 76' ' ' ILE . 12.9 p 179.8 172.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -101.15 91.51 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.513 HG13 ' CZ3' ' A' ' 24' ' ' TRP . 71.3 t -75.19 101.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.541 HD13 ' CE2' ' A' ' 29' ' ' PHE . 15.0 mt -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 31.6 ttp -126.12 129.95 50.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.92 158.29 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -56.63 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.8 p -103.75 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 44.6 tt0 -94.96 -36.21 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.77 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.31 -42.63 30.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.7 ttp -70.36 -32.57 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.9 -45.07 71.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.23 -47.56 85.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.456 ' CE2' HD11 ' A' ' 14' ' ' LEU . 26.6 m95 -58.49 -67.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.015 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 108' ' ' ARG . 65.3 t -42.94 -50.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -64.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 12.2 m-85 -54.86 -54.28 44.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.83 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' CG ' HD12 ' A' ' 58' ' ' ILE . 37.2 mtt180 -48.75 -43.5 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -54.26 -56.45 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 36.2 t -63.96 -51.48 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.11 -22.9 4.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.06 101.03 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 t -142.77 120.25 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.57 171.58 32.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.8 t -157.24 139.28 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 p -138.61 148.78 44.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p -150.37 153.58 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.86 138.8 34.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.22 92.66 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 p -110.87 128.73 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 111.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.24 173.58 17.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HG2' ' CE ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -75.02 -166.57 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.5 mt -109.71 -47.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 5.4 tmtm? -146.58 120.72 9.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.465 ' CE ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -113.73 147.3 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.61 158.75 20.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -88.37 129.43 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 103' ' ' TRP . 27.3 mt -129.71 157.7 41.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 108.7 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -100.88 130.9 46.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.35 138.97 47.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 HH22 ' NE2' ' A' ' 25' ' ' GLN . 40.0 mtt-85 -54.32 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt -133.84 58.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.76 153.41 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 37.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -114.17 167.03 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.487 ' CH2' ' CG1' ' A' ' 91' ' ' VAL . 77.1 m95 -127.55 133.75 49.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' NE2' HH22 ' A' ' 18' ' ' ARG . 4.7 mm-40 -114.44 117.05 29.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -79.44 97.91 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -110.96 176.16 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -101.06 102.69 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CZ ' HD21 ' A' ' 92' ' ' LEU . 13.1 m-85 -88.65 143.27 27.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 8' ' ' PRO . 37.3 t -138.27 144.66 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -110.81 125.75 53.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -141.14 128.22 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.01 -141.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -97.17 52.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -158.36 145.84 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -107.81 129.67 55.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -124.65 165.7 17.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -159.57 127.05 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -110.62 162.58 14.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -66.16 -38.45 88.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -155.2 176.71 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 41.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.33 32.67 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.56 -179.2 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.7 p -131.97 -48.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 24.0 tptt -76.25 132.55 73.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.02 153.49 41.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.556 1.819 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.4 -55.39 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 160.57 15.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 117.6 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.89 136.86 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -82.71 106.36 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 29.7 mt -61.66 -43.89 89.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 54.46 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.64 43.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.28 161.69 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.44 HG23 ' CD ' ' A' ' 59' ' ' LYS . 1.9 m -121.98 116.13 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.56 108.55 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 76' ' ' ILE . 2.8 mtpm? -117.7 143.94 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -88.94 86.1 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 61' ' ' ILE . 4.7 mm -68.32 150.48 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.18 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 63' ' ' THR . 2.0 m -76.2 55.66 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 63' ' ' THR . 1.7 m-20 160.85 168.23 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.4 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.48 76.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -145.52 -172.46 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -176.76 144.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.81 -62.29 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -46.19 132.7 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 16.9 m-85 -77.9 84.47 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.64 134.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -145.66 137.59 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 2.7 pt-20 -117.1 145.28 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.7 mt -107.71 131.27 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HD3' ' A' ' 59' ' ' LYS . 2.7 mp -111.03 129.73 23.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.527 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 18.2 Cg_endo -75.01 94.49 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' SER . . . 36.61 78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER 39.71 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.527 ' CE2' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.54 -165.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 108.001 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -160.92 169.99 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.51 171.73 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 64.29 57.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' C ' ' CG ' ' A' ' 85' ' ' MET . 0.0 OUTLIER 62.92 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.424 ' CG ' ' C ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 35.13 62.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.13 156.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -179.53 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.518 ' HB3' ' CD1' ' A' ' 80' ' ' TRP . 12.1 t0 -41.37 155.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.425 ' CB ' HG13 ' A' ' 76' ' ' ILE . 13.5 p 172.78 165.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 m-30 -85.83 90.79 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.487 ' CG1' ' CH2' ' A' ' 24' ' ' TRP . 99.3 t -76.41 100.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 14.7 mt -109.19 141.93 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.466 ' HE2' ' CE2' ' A' ' 24' ' ' TRP . 21.1 ttp -132.2 139.98 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.61 162.35 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -80.94 -48.71 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -114.73 169.26 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.577 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 57.1 tt0 -75.98 -47.0 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.09 -28.92 11.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.59 -50.66 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.404 ' C ' ' SD ' ' A' ' 100' ' ' MET . 16.0 tmm? -61.29 -38.92 88.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.47 -41.27 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -63.93 -55.96 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CD1' HD12 ' A' ' 14' ' ' LEU . 30.7 m95 -54.48 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.1 t -42.81 -50.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -47.39 -64.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 28.8 m-85 -54.14 -49.98 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.13 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLY . 5.8 mtt-85 -50.11 -43.78 51.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.1 t -50.53 -53.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.34 -31.81 23.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -98.87 -95.47 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 162.35 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.33 -170.28 40.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.4 t -160.8 97.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.8 m -89.35 135.81 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.118 . . . . 0.0 111.026 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m 57.29 78.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m -129.32 159.18 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.62 169.37 26.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -142.49 -56.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.97 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -161.11 161.82 31.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.06 31.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.444 HG21 ' CD1' ' A' ' 106' ' ' PHE . 3.6 mt -117.85 -39.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE2' ' CG ' ' A' ' 102' ' ' GLU . 2.5 tttp -142.7 139.4 31.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -145.4 152.08 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.88 169.94 35.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -92.93 111.3 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 11.1 mt -112.72 151.53 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.65 113.45 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 19.5 tttm -104.06 125.89 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.17 122.39 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 169.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -45.28 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 mt -134.14 55.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.37 5.77 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 45.74 56.18 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -143.85 171.9 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.585 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 86.7 m95 -118.91 129.65 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -112.66 115.11 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.83 101.92 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 163.02 15.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.21 100.1 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 92' ' ' LEU . 13.7 m-85 -85.52 144.61 27.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.6 t -137.45 131.83 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.33 108.02 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.47 128.68 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.64 -143.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -90.13 57.35 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.4 151.43 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -116.96 128.27 55.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 3.8 m-85 -124.02 172.83 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -158.66 136.16 10.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LYS . 56.0 m-85 -118.79 144.49 46.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' TYR . 18.3 mttm -39.14 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -89.44 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -174.94 38.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -124.5 -46.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.75 118.25 5.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.5 t -87.09 43.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -150.1 131.43 7.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.557 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 29.8 mm-40 -66.34 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.65 168.17 13.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 p -150.48 126.01 10.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 121.87 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.98 105.79 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.639 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 16.0 mt -56.45 -43.93 99.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 81.48 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.54 41.31 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 52' ' ' TYR . 10.3 m -130.68 170.08 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.437 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 38.6 m -131.95 111.31 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.38 118.85 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HD2' ' CG2' ' A' ' 57' ' ' THR . 0.1 OUTLIER -126.08 148.92 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -93.64 80.19 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.0 mm -67.98 133.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.25 147.45 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 m -72.56 -3.82 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -160.46 168.22 12.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -23.72 13.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -148.23 75.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -145.29 -174.72 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.5 121.87 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.8 112.76 0.37 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.64 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 3.0 m-85 40.57 52.14 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.92 129.29 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -147.98 141.06 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' OE2' ' CD1' ' A' ' 76' ' ' ILE . 1.2 pm0 -113.39 148.42 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 mt -114.13 128.47 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 2.7 mp -108.88 130.64 22.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 160.04 40.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.67 -33.77 48.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.02 118.61 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 87' ' ' GLN . 3.1 t90 -124.27 -67.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 107.95 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 59.05 -177.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.51 70.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -179.09 82.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 41.27 49.08 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.91 106.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . 91.12 -116.62 4.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 5.2 pt20 33.97 46.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -145.11 81.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -71.55 -166.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.89 91.64 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.02 96.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 29' ' ' PHE . 13.3 mt -104.66 143.36 33.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.585 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 1.3 ttm -134.27 130.96 37.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -99.19 161.39 13.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 33.39 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 175.16 150.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 1.4 tt0 -66.62 -44.07 83.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.71 -28.04 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.35 -45.55 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.0 tmm? -70.41 -42.86 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.89 -42.72 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 9.6 tp10 -61.96 -67.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' A' ' 31' ' ' LEU . 45.4 m95 -44.15 -60.17 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.0 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.2 -58.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -40.07 -62.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.444 ' CD1' HG21 ' A' ' 9' ' ' ILE . 36.1 m-85 -58.56 -48.62 80.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.5 mt -53.57 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.79 49.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -55.44 -63.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.3 t -55.79 -49.06 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.68 -29.65 53.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.26 -89.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.3 t -143.15 135.91 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -111.42 -178.0 20.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.19 4.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.93 167.72 29.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -151.29 83.19 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.08 88.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.34 103.52 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.12 176.69 21.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -60.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.6 p -177.77 137.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.69 -170.58 21.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 Cg_endo -75.01 -169.2 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.659 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 5.9 mt -115.94 -45.64 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 4.5 tttp -135.43 124.81 24.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.71 123.19 38.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.69 -178.86 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.499 ' CH2' ' HA ' ' A' ' 41' ' ' ASP . 14.2 m95 -107.46 134.89 49.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.5 mt -133.8 167.07 21.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -104.59 115.11 29.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -104.82 122.27 45.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -53.76 136.51 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.98 164.32 12.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.1 -82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mt -139.98 64.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -136.18 12.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt 41.52 58.02 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -142.77 171.16 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.0 m95 -121.33 133.44 55.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -117.07 117.42 29.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -68.89 103.92 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -119.67 165.21 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD2' ' NE1' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -92.4 115.0 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.576 ' CE2' HD11 ' A' ' 92' ' ' LEU . 11.3 m-85 -104.22 128.61 51.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.25 145.87 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -111.55 111.72 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -122.8 131.5 53.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.04 -141.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -91.67 52.99 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.3 mt-30 -160.02 143.58 14.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.8 tm? -107.32 119.39 39.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 19.8 m-85 -115.86 168.24 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -158.46 129.08 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 87.2 m-85 -112.03 164.9 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -57.48 -78.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.499 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -109.11 -157.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -84.37 44.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' THR . 2.1 tt0 -123.77 48.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' GLU . 10.8 p-10 -39.25 98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' GLU . 12.7 t -133.21 -44.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' N ' HG21 ' A' ' 45' ' ' THR . 3.6 tptt -134.34 122.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.543 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 22.2 mm-40 -43.56 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.07 163.65 12.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.435 1.084 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.5 p -145.04 121.26 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 127.38 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -72.91 106.86 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 18.2 mt -59.59 -43.32 95.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.05 60.75 5.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.57 44.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.56 171.83 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -132.26 110.48 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' HB ' ' NH1' ' A' ' 108' ' ' ARG . 2.5 mp -87.14 102.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mtmt -102.51 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.99 107.51 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 15.0 mm -79.23 92.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.05 153.63 23.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' ASN . 60.0 m -89.53 175.96 7.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' THR . 1.3 t30 -40.62 159.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.17 8.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.23 35.9 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 -178.39 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.82 134.56 33.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.38 120.32 6.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 122.9 43.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.756 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.7 m-85 -82.43 95.52 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.3 t -138.14 132.99 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.26 135.37 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.2 pt-20 -112.94 142.9 45.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.17 128.95 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 mt -112.11 123.48 34.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.46 41.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.91 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.3 p -57.26 97.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLN . 7.2 t90 -133.86 -50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.964 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.23 80.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' TRP . 16.9 mm-40 -140.64 -58.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 69.27 23.05 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.62 16.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 ptm -151.33 173.94 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.16 110.95 0.75 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -112.18 55.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 105.49 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' HG13 ' A' ' 76' ' ' ILE . 18.8 p -62.06 171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -90.63 90.54 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.543 HG12 ' CH2' ' A' ' 24' ' ' TRP . 58.5 t -74.83 100.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.576 HD11 ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -107.76 147.4 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 30.4 ttp -136.94 139.83 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.21 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.26 32.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -174.24 151.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 tt0 -73.08 -44.29 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.58 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -44.38 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.418 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.4 tmm? -73.05 -39.18 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.41 -43.99 95.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 3.1 tp10 -63.97 -55.13 24.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CD1' HD13 ' A' ' 14' ' ' LEU . 36.3 m95 -54.75 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 107.956 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.8 t -53.86 -50.08 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.2 -61.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.659 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 40.0 m-85 -63.39 -53.0 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.1 -58.92 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.437 ' NH1' ' HB ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -60.36 -55.23 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -39.52 -68.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.8 t -48.35 -54.3 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.59 -38.65 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -91.2 42.34 2.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.13 146.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.04 -166.3 12.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.15 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.9 m -48.42 175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.6 m -138.45 91.75 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -138.06 134.02 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -137.17 -56.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.48 66.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -153.88 153.02 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.59 -51.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.04 173.94 49.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.57 14.29 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.645 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.8 mt -98.26 -58.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 3.1 tmtm? -124.65 137.88 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -144.97 138.87 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.11 172.12 45.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.495 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.3 m95 -95.3 129.05 42.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD12 ' CD1' ' A' ' 103' ' ' TRP . 18.4 mt -128.17 168.07 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.13 104.04 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -94.27 128.35 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -48.71 142.14 6.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -153.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 95.0 p -140.02 100.4 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm 72.07 18.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' ASN . 4.1 t -122.45 -2.04 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.53 28.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 21' ' ' VAL . 59.6 t30 -112.24 169.94 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 75.5 m95 -112.03 140.95 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -119.35 117.36 28.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.28 99.11 4.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.0 176.04 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.4 t80 -104.78 111.35 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 19.8 m-85 -98.24 136.94 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.28 138.32 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.01 107.36 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -127.17 130.44 49.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.72 -141.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.53 52.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.3 mt-30 -159.13 136.89 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.83 127.59 45.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 30.0 m-85 -122.56 165.17 16.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 126.32 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.8 m-85 -114.17 173.15 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -74.4 -41.17 61.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -150.58 172.74 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.84 43.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.34 -64.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.21 170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 t -131.16 26.73 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.88 126.79 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.76 28.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -84.98 -47.36 10.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 160.84 24.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.64 128.09 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.64 119.1 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -65.24 103.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 9.8 mt -58.22 -43.94 98.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 60.09 5.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.36 44.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 m -131.95 173.9 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -134.17 112.5 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.47 111.89 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -117.69 144.94 44.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.76 112.08 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.456 ' CD1' ' OE2' ' A' ' 74' ' ' GLU . 19.2 mm -76.75 122.47 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.09 153.17 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.1 m -88.91 -126.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.71 168.53 0.48 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.95 3.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -124.93 62.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.79 178.42 4.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.24 51.9 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.89 -176.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.89 157.67 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 14.1 m-85 -98.22 67.21 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.437 ' CG1' ' HB ' ' A' ' 61' ' ' ILE . 78.3 t -128.36 144.21 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 92' ' ' LEU . 16.8 p90 -158.71 143.18 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 5.6 pm0 -116.85 149.24 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 92' ' ' LEU . 11.3 mt -111.29 121.13 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.83 128.27 26.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.573 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 18.2 Cg_endo -75.04 155.47 42.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.42 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.99 144.67 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.573 ' CE3' ' HG2' ' A' ' 77' ' ' PRO . 9.6 t-105 -161.59 -53.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' TRP . 5.4 t0 -40.31 130.56 2.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 71.5 84.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.61 156.09 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 5.16 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -129.41 39.05 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.56 128.54 4.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -124.97 50.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.466 ' N ' ' HE1' ' A' ' 80' ' ' TRP . 5.4 m-20 -144.13 119.79 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.2 p -56.76 -163.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -99.38 91.26 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.2 t -81.27 99.26 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.477 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 14.1 mt -105.98 144.25 32.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 5.1 ttm -130.63 135.54 47.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.73 150.33 24.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.5 m -117.57 165.15 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 61.2 tt0 -71.93 -53.41 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.97 -26.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.54 -48.65 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.465 ' SD ' ' CG2' ' A' ' 104' ' ' VAL . 19.1 tmm? -65.22 -41.89 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.24 -50.3 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.51 -49.91 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CD1' HD12 ' A' ' 14' ' ' LEU . 36.0 m95 -57.27 -71.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 108.024 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.465 ' CG2' ' SD ' ' A' ' 100' ' ' MET . 54.5 t -40.49 -55.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -63.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-85 -57.32 -56.2 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.7 mt -46.2 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.36 -45.54 65.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -52.34 -66.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.73 -52.68 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -54.99 -24.41 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.83 -56.21 17.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.83 96.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 174.57 -173.83 46.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.73 42.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.5 p -160.3 94.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.3 t -51.33 113.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.9 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' HB3' ' A' ' 102' ' ' GLU . 3.9 tttt -133.96 135.72 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -142.84 145.19 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.94 162.29 27.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -84.29 112.09 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.5 mt -113.03 157.21 21.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 116.12 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 30.3 tttm -106.52 128.92 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.727 ' NE2' HG11 ' A' ' 91' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 84.9 m95 -120.83 140.64 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.66 106.69 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -73.35 100.58 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -118.74 163.48 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.97 103.94 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 14.3 m-85 -88.82 142.08 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -135.98 143.01 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -110.27 108.88 19.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.11 124.32 42.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.6 -142.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.5 56.28 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mt-30 -162.95 139.0 7.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.8 tm? -102.85 127.64 49.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 36' ' ' LEU . 29.3 m-85 -123.14 167.8 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 127.5 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.05 150.97 17.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.3 p -136.97 119.49 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -115.31 123.79 49.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -70.91 106.95 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 36' ' ' LEU . 23.7 mt -59.05 -43.33 97.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 55.77 4.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.04 43.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.81 170.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.426 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -134.31 106.19 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.498 HG21 HG13 ' A' ' 104' ' ' VAL . 2.7 mp -84.13 112.11 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.7 mtmt -116.82 129.01 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.13 110.38 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 2.5 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.563 0.221 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.57 137.89 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -154.26 135.25 13.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.1 pt-20 -112.02 145.08 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -103.4 127.87 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -107.01 120.96 46.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.435 ' CB ' HG13 ' A' ' 76' ' ' ILE . 66.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -103.91 91.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.727 HG11 ' NE2' ' A' ' 17' ' ' GLN . 61.2 t -71.84 103.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.74 145.38 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -139.76 134.75 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -105.57 153.22 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -68.49 -55.29 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -105.68 161.14 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 41.1 tt0 -70.43 -57.72 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -40.76 -29.78 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 3.8 tt0 -77.64 -49.26 14.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.546 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 30.2 ttp -63.99 -35.82 81.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.04 -45.57 91.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.1 -58.57 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.7 ' CD1' HD11 ' A' ' 14' ' ' LEU . 18.0 m95 -46.04 -62.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 58' ' ' ILE . 54.6 t -50.72 -53.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.86 -63.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 20.6 m-85 -56.61 -54.66 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 HD23 ' A' ' 36' ' ' LEU . 12.4 mt -48.28 -62.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -43.88 77.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -71.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.5 t -48.07 -48.93 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.4 126.56 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.14 142.42 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.87 166.64 35.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.463 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.9 m95 -100.04 121.8 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 103' ' ' TRP . 14.3 mt -122.26 152.76 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -87.29 113.34 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -102.19 131.31 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 82.1 m95 -126.59 122.58 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.27 120.51 42.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 99.13 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 168.38 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.463 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.4 t80 -107.23 108.38 19.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 92' ' ' LEU . 39.4 m-85 -100.34 136.67 39.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -130.65 135.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.531 HD11 HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 ttt180 -132.43 134.7 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 47.13 -144.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.88 29.68 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 16.0 mt-30 -135.5 142.02 45.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.5 tm? -106.66 124.66 49.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -118.0 161.93 18.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.2 126.21 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.98 172.18 23.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.33 136.45 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 124.11 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -74.72 107.6 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.962 HD21 ' HB2' ' A' ' 36' ' ' LEU . 27.8 mt -57.07 -43.3 99.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.05 91.15 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.91 3.69 8.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -93.15 172.95 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 m -134.3 100.57 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 108' ' ' ARG . 2.0 mp -81.19 115.27 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 14.5 mtmt -121.27 147.89 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.17 98.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.579 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.6 mm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 10.0 m-30 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.539 0.209 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.602 HG13 ' HB2' ' A' ' 93' ' ' MET . 2.6 t -126.41 126.12 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -141.14 140.35 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.4 pt-20 -114.85 151.06 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.79 HG22 ' SG ' ' A' ' 56' ' ' CYS . 5.1 mt -107.2 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -92.82 117.01 67.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 2.4 m-30 -100.64 91.13 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 101.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 18.0 mt -111.64 146.6 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.602 ' HB2' HG13 ' A' ' 72' ' ' VAL . 1.6 tmm? -140.61 132.02 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -99.43 -179.64 4.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -93.77 -47.56 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -116.52 173.06 6.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 16.3 tt0 -77.09 -44.43 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.43 -28.54 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -76.12 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.45 ' SD ' HG21 ' A' ' 104' ' ' VAL . 12.7 tmm? -57.3 -36.93 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.2 -41.38 98.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.54 -62.42 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.798 ' CD1' HD11 ' A' ' 14' ' ' LEU . 24.2 m95 -46.54 -59.29 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 ' SD ' ' A' ' 100' ' ' MET . 29.6 t -51.84 -51.12 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.7 ttpt -46.55 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 31' ' ' LEU . 36.9 mt -53.68 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HG2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -56.63 -51.22 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 5.5 ttm-85 -39.09 -58.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 53' ' ' LEU . 84.5 t -62.69 -43.59 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG22 ' CE1' ' A' ' 106' ' ' PHE . 3.3 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 4.1 tmtm? -139.17 133.22 31.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -138.14 150.68 47.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.25 163.27 26.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -88.25 120.36 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 103' ' ' TRP . 8.9 mt -119.53 150.9 39.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 1.1 mtmt -91.67 100.26 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.01 127.55 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 3.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 93.4 m95 -116.9 122.93 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.25 112.86 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.57 97.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -113.2 167.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -97.61 116.65 30.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.0 m-85 -104.09 135.62 45.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.22 135.74 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.85 109.2 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.95 116.8 24.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.64 -143.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -91.74 49.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -155.92 145.53 21.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.701 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.0 tm? -107.43 125.01 50.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' N ' HD13 ' A' ' 36' ' ' LEU . 86.0 m-85 -115.28 164.64 13.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.4 p90 -159.15 126.22 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 9.9 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.38 160.27 25.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.1 p -136.03 133.51 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.87 124.25 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.76 107.77 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.653 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.5 mt -63.45 -43.31 78.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 88.23 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.73 -21.9 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -67.44 156.37 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.7 m -118.88 116.24 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.69 106.41 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 7.3 mtmt -110.89 130.6 55.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -86.17 111.01 19.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.4 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.477 0.179 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.482 HG22 ' HG3' ' A' ' 93' ' ' MET . 21.5 t -134.26 129.88 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 100' ' ' MET . 18.5 p90 -142.68 133.69 25.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 1.8 pt-20 -111.53 146.4 37.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.66 135.16 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 mp -114.79 129.87 24.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -95.02 91.07 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.434 ' C ' HD23 ' A' ' 92' ' ' LEU . 59.8 t -77.66 102.01 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 91' ' ' VAL . 13.7 mt -110.96 135.87 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.543 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.8 ttm -124.36 132.53 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -101.85 157.43 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -50.01 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 97' ' ' GLN . 1.5 t -111.7 174.35 5.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 48.3 tt0 -81.28 -48.04 12.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.97 -23.85 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.03 -54.5 5.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.5 ttp -58.79 -33.9 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.01 -47.74 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.46 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 tp10 -56.55 -60.19 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 28.9 m95 -50.3 -58.62 5.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 100' ' ' MET . 31.9 t -48.33 -55.93 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.5 ttpp -40.45 -58.31 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 38.0 m-85 -62.96 -55.36 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -49.06 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.0 ttt180 -46.81 -60.77 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.52 -50.72 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' C ' ' HE2' ' A' ' 11' ' ' MET . 5.8 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.2 117.31 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.72 149.4 42.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.59 159.52 20.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -93.53 105.34 17.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.3 mt -105.94 147.85 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -83.94 118.09 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -109.8 129.38 55.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 79.1 m95 -129.79 112.08 13.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.92 118.2 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.61 101.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -108.7 149.01 29.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.25 98.04 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.772 ' HD2' HD11 ' A' ' 36' ' ' LEU . 30.3 m-85 -88.58 138.61 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.41 129.25 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 106' ' ' PHE . 0.4 OUTLIER -96.86 104.34 16.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 8.5 mtp85 -123.55 143.89 49.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.89 -144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.13 49.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 1.5 mt-30 -158.19 142.05 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -102.58 122.82 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 32' ' ' ARG . 11.9 m-85 -117.05 165.65 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p90 -159.89 126.52 4.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 19.7 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 18.4 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -149.33 165.22 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 p -148.31 122.47 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.34 125.36 53.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.92 107.67 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -61.73 -43.01 86.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.04 55.34 3.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.98 44.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -134.42 172.41 12.94 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 59' ' ' LYS . 17.8 m -134.32 112.62 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -88.65 110.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.9 mtmt -117.63 144.56 45.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.18 102.4 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.508 0.194 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG22 ' SD ' ' A' ' 93' ' ' MET . 58.4 t -143.13 137.4 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -150.36 138.19 20.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.6 pt-20 -110.76 153.45 25.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 92' ' ' LEU . 10.2 mt -111.7 121.28 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' A' ' 77' ' ' PRO . 2.5 mp -104.85 139.0 19.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 76' ' ' ILE . 60.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -96.55 90.93 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.93 103.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 75' ' ' ILE . 16.6 mt -111.94 151.46 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.577 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 27.2 ttp -140.54 144.85 36.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 155.53 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -60.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.9 p -97.12 -178.11 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 42.7 tt0 -90.79 -40.28 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.63 -24.8 66.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.64 -39.71 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.552 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.2 ttp -73.27 -37.38 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.12 -37.81 88.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.49 -60.75 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.805 ' CD1' HD11 ' A' ' 14' ' ' LEU . 29.9 m95 -47.17 -56.14 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.499 HG13 HG21 ' A' ' 58' ' ' ILE . 46.8 t -54.25 -48.53 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -63.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 31' ' ' LEU . 20.8 m-85 -55.3 -46.77 76.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.92 -69.69 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -42.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -51.3 -59.01 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.571 HG11 HD12 ' A' ' 53' ' ' LEU . 40.3 t -59.01 -51.72 69.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 10.5 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HE2' ' CD2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -141.4 129.07 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.484 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -132.77 125.74 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . -167.93 -159.48 13.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.51 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 17.1 m95 -119.8 145.83 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 103' ' ' TRP . 19.0 mt -147.08 159.53 43.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -98.38 118.49 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 16.7 tttm -114.39 136.17 53.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.2 m95 -100.93 133.0 46.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.8 113.84 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.42 103.87 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.72 159.93 31.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -78.61 126.36 30.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 6.9 m-85 -117.22 118.9 33.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 11' ' ' MET . 41.9 t -118.04 149.4 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -116.7 118.29 32.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttt180 -127.14 131.45 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.44 -140.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -91.7 55.03 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.5 mt-30 -160.17 149.3 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.4 tm? -114.22 124.35 51.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.585 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.4 m-85 -120.19 165.6 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -156.13 131.4 9.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.99 167.34 13.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.2 p -149.22 128.17 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.94 126.47 45.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER -74.98 107.84 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.0 mt -59.32 -43.37 96.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 57.88 4.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.14 44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 17.7 m -136.64 172.35 13.14 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.3 m -134.44 113.43 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.454 HG21 HG13 ' A' ' 104' ' ' VAL . 2.5 mp -85.68 111.3 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -118.42 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.77 108.22 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.0 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.91 143.79 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -161.0 132.87 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.2 pt-20 -107.18 152.16 24.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mt -110.48 121.32 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -101.88 125.46 36.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.224 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.446 ' CB ' HG13 ' A' ' 76' ' ' ILE . 59.9 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.36 91.0 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.1 t -72.04 101.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 mt -109.4 149.13 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -143.19 135.21 26.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -104.88 152.77 22.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -50.14 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 51.8 tt0 -95.78 -52.39 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.94 -26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -49.14 19.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.525 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.7 ttp -64.38 -35.98 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.4 -42.2 88.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.11 -50.99 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.3 m95 -56.77 -50.87 70.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' MET . 46.7 t -60.26 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 10.5 m-85 -49.16 -53.46 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 103' ' ' TRP . 15.9 mt -51.66 -66.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -51.88 -38.19 55.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -54.79 42.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 53' ' ' LEU . 77.1 t -66.17 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.512 HG22 ' CE1' ' A' ' 106' ' ' PHE . 4.0 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -125.71 126.23 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 135.37 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.43 170.27 42.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.0 142.35 28.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 103' ' ' TRP . 31.9 mt -140.72 156.04 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -94.94 116.87 29.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -108.52 130.9 55.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 77.3 m95 -101.17 129.97 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -112.61 115.93 29.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.31 115.49 11.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -129.54 173.8 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -102.73 103.79 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.741 ' HD2' HD11 ' A' ' 36' ' ' LEU . 15.3 m-85 -92.44 132.99 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 t -127.37 136.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -102.51 113.81 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -128.16 136.35 51.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.06 -141.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.19 53.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -161.61 140.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -101.68 126.97 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.6 m-85 -121.15 168.43 11.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.3 p90 -159.62 126.05 4.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 20.4 m-85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.5 169.02 16.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.435 1.085 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.4 p -149.16 120.25 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.04 118.43 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -64.57 106.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.1 mt -59.9 -43.5 94.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.04 56.18 4.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.55 43.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -133.08 170.59 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -134.25 107.07 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 102.83 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 12.0 mtmt -100.25 124.93 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.56 101.02 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.6 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.527 0.203 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ILE . 6.5 t -139.94 133.63 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -144.34 133.63 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.5 pt-20 -110.02 139.03 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -95.34 123.6 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 mt -105.13 122.74 42.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.464 ' CB ' HG13 ' A' ' 76' ' ' ILE . 11.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -92.96 91.52 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 91.0 t -73.67 103.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.5 mt -112.07 140.89 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.578 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 36.6 ttp -133.62 138.78 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.86 173.81 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -53.21 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -113.12 155.92 24.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 61.6 tt0 -62.34 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.71 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.89 -52.93 9.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.88 -35.09 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.63 -45.64 82.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.6 tp10 -59.23 -59.72 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.634 ' CD1' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -48.42 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' ARG . 50.6 t -44.27 -56.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -60.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 9' ' ' ILE . 25.8 m-85 -60.94 -53.49 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.51 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' VAL . 11.0 mtt180 -49.34 -47.39 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -49.16 -69.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 53' ' ' LEU . 55.8 t -48.38 -49.93 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 5.2 tttp -123.2 127.52 48.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.712 ' HG2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.96 129.86 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.61 170.82 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 8.7 m95 -94.14 126.78 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.6 mt -127.59 145.57 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -84.43 104.36 14.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -96.16 125.93 41.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CB ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 88.9 m95 -103.18 107.29 18.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.049 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' NE2' HH12 ' A' ' 27' ' ' ARG . 7.9 mm-40 -98.92 110.0 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.03 97.9 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.408 HH12 ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -106.27 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -108.73 105.0 14.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.76 147.13 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.712 HG22 ' HG2' ' A' ' 11' ' ' MET . 3.3 t -140.38 132.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.851 HD21 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.65 142.83 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -132.3 -153.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.86 117.92 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' ALA . 42.5 mt-30 36.28 44.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.347 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 3.0 mt-30 -165.25 153.31 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.965 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.8 tm? -130.1 137.22 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.784 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.1 m-85 -130.35 165.56 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -157.9 128.51 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.29 166.16 25.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.2 p -142.5 126.73 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.67 133.97 49.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.16 106.46 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 36' ' ' LEU . 15.9 mt -56.63 -44.1 99.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.08 0.45 8.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -87.09 178.4 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.572 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 m -134.77 99.81 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.78 110.21 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' HG22 ' A' ' 57' ' ' THR . 18.1 mtmt -118.68 139.12 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.39 102.99 15.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.4 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.2 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.471 0.177 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.36 127.55 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 11.4 p90 -144.5 131.08 19.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.9 pt-20 -107.39 151.37 25.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' SG ' ' A' ' 56' ' ' CYS . 7.0 mt -109.73 119.3 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.448 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -103.8 115.49 63.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.448 ' CB ' HG13 ' A' ' 76' ' ' ILE . 39.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -103.72 91.19 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.433 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 64.5 t -72.28 102.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 75' ' ' ILE . 17.5 mt -112.26 137.89 49.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.561 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -131.1 134.98 47.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.24 140.67 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -58.91 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 p -98.98 171.72 7.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.6 tt0 -81.53 -51.81 7.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.19 -28.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.17 -47.55 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.9 ttp -66.01 -33.64 76.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.58 -48.16 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 7.6 tp10 -58.46 -51.91 67.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 14' ' ' LEU . 34.6 m95 -56.44 -63.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 t -46.32 -45.13 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.79 -63.13 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.435 ' HB3' HD13 ' A' ' 31' ' ' LEU . 15.8 m-85 -56.59 -42.62 78.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.05 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -39.73 57.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.1 ttt85 -55.06 -58.64 6.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.93 -40.64 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.2 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 7.9 tttp -124.24 134.63 53.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.439 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 mtm -133.75 122.51 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.66 166.48 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -84.87 128.84 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' CD1' ' A' ' 103' ' ' TRP . 19.7 mt -130.53 150.73 51.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 2.9 mtmt -86.07 138.09 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -136.33 116.59 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.639 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 59.6 m95 -107.03 140.81 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -117.28 109.88 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 100.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.09 159.56 25.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -75.5 136.26 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 36' ' ' LEU . 14.8 m-85 -131.23 118.91 21.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 11' ' ' MET . 22.1 t -118.13 159.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -122.6 137.87 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -137.47 128.52 27.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.23 -102.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -126.41 62.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 20.1 mt-30 -162.29 148.24 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 29' ' ' PHE . 2.5 tm? -111.55 117.31 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 27.9 m-85 -117.01 161.76 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -151.93 132.06 13.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.56 31.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.22 125.86 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -76.27 106.97 8.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 6.9 mt -58.68 -43.56 98.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 55.53 4.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.78 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.7 170.72 14.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -130.7 107.59 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.31 109.22 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 57' ' ' THR . 3.1 mtmt -118.21 127.74 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.65 105.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.42 HD11 ' CD ' ' A' ' 74' ' ' GLU . 32.6 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.482 0.182 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG22 ' SD ' ' A' ' 93' ' ' MET . 34.1 t -137.34 144.14 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -163.57 140.13 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CD ' HD11 ' A' ' 61' ' ' ILE . 5.1 pt-20 -115.12 144.46 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 92' ' ' LEU . 3.5 mt -103.65 129.49 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.495 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.0 mp -109.29 122.7 38.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.428 ' CB ' HG13 ' A' ' 76' ' ' ILE . 74.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -109.21 91.25 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.639 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.8 t -70.92 99.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 75' ' ' ILE . 15.2 mt -109.25 149.22 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.508 ' HE1' ' CE2' ' A' ' 24' ' ' TRP . 18.0 ttp -140.51 143.3 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 146.38 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.3 m -95.77 38.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 179.83 139.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 40.0 tt0 -63.03 -48.36 79.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.75 68.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.03 -52.73 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.5 ttp -61.85 -34.09 75.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.98 -50.38 49.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HG2' ' CE ' ' A' ' 10' ' ' LYS . 1.4 tp10 -55.3 -51.11 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.668 ' CD1' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -57.26 -68.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -43.96 -45.72 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -60.28 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -60.65 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.46 -67.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -44.78 56.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -55.17 -70.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.5 t -47.51 -51.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -128.81 136.52 50.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.9 143.14 50.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.82 165.53 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -97.88 123.98 42.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 103' ' ' TRP . 64.8 mt -124.41 145.92 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -89.75 112.19 23.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -96.29 142.28 28.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.677 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 95.3 m95 -88.91 140.61 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 11.4 tp60 -122.91 113.09 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.5 105.4 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -121.45 167.69 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -100.6 105.55 16.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.744 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -95.51 135.64 36.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.48 145.88 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -109.88 130.18 55.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -150.57 143.49 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 43.0 -139.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HA ' HG11 ' A' ' 110' ' ' VAL . 23.5 mt-30 -103.8 44.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -152.27 141.8 21.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 tm? -99.79 129.03 45.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' HD13 ' A' ' 36' ' ' LEU . 11.1 m-85 -122.51 162.86 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -159.93 132.26 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.3 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 2.7 mm-40 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.06 171.55 19.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.1 p -150.61 127.5 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.18 145.29 47.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -91.37 106.94 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.8 mt -63.93 -44.13 77.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 65.65 6.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -127.56 160.29 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 111.74 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 104' ' ' VAL . 1.4 mp -85.56 99.09 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mttt -92.72 132.08 37.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -95.06 84.81 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.629 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.3 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.48 0.181 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.6 t -137.73 122.01 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 p90 -138.06 141.08 40.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' ' 76' ' ' ILE . 3.6 pt-20 -114.28 132.52 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 mt -90.6 125.69 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 59' ' ' LYS . 4.0 mt -108.75 122.04 41.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.496 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 32.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -99.6 90.73 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' C ' HD23 ' A' ' 92' ' ' LEU . 62.0 t -74.37 99.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.3 mt -109.78 138.16 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.677 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 29.2 ttp -126.73 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -106.53 138.89 41.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 p -60.77 -49.71 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -109.26 -176.01 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 44.4 tt0 -92.9 -51.97 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.91 -25.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -53.85 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 34.5 ttp -56.62 -38.14 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.4 -55.08 35.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 1.8 tp10 -56.83 -41.02 77.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 14' ' ' LEU . 9.7 m95 -62.63 -64.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 58' ' ' ILE . 77.6 t -51.65 -46.24 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -64.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 22.3 m-85 -60.06 -55.95 27.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 mt -42.6 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -50.87 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -71.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 53' ' ' LEU . 49.6 t -50.0 -53.0 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 20.5 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 2.2 tmtm? -126.08 126.43 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 146.38 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . 176.21 -153.55 14.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -123.01 156.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 6.7 mt -155.55 139.64 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -81.34 109.52 15.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -101.62 124.32 47.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.72 ' CH2' HG12 ' A' ' 91' ' ' VAL . 59.0 m95 -87.46 134.54 33.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HG2' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -118.12 119.05 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 109.54 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 25' ' ' GLN . 8.8 mmt-85 -124.29 177.29 5.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -99.89 133.4 44.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m-85 -125.86 132.57 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.11 143.19 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.54 113.1 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.9 -73.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.36 129.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 42.15 30.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.1 mt-30 -164.23 136.4 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.801 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.7 tm? -109.9 123.06 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.496 ' N ' HD13 ' A' ' 36' ' ' LEU . 46.8 m-85 -117.16 158.71 23.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -156.08 129.74 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.09 21.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.8 p -150.47 118.2 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.11 123.32 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 108.8 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.6 mt -59.37 -43.22 96.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 57.41 4.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.3 43.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 2.9 m -136.37 170.28 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.486 HG22 ' CD ' ' A' ' 59' ' ' LYS . 5.1 m -130.6 110.88 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -89.96 102.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' CD ' HG22 ' A' ' 57' ' ' THR . 23.8 mtpt -107.81 148.92 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -94.47 124.6 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.006 HD11 ' OE2' ' A' ' 74' ' ' GLU . 8.8 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 13.7 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.514 0.197 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.547 HG22 ' SD ' ' A' ' 93' ' ' MET . 40.7 t -128.16 151.01 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -160.36 145.5 14.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 1.006 ' OE2' HD11 ' A' ' 61' ' ' ILE . 1.6 pm0 -117.77 142.32 47.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.68 121.99 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.464 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.5 mt -105.55 127.79 27.81 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -101.96 91.73 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.72 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.7 t -79.68 98.13 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 12.6 mt -106.26 150.95 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 72' ' ' VAL . 17.7 ttp -139.95 137.78 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.81 164.09 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -51.06 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -115.49 160.51 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.4 tt0 -64.74 -49.82 69.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.79 -33.48 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.05 -54.46 8.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 104' ' ' VAL . 17.6 tmm? -57.32 -38.51 74.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.82 -43.05 99.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 3.7 tp10 -62.76 -57.24 11.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 40.4 m95 -53.71 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 107.976 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.6 t -41.82 -51.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 5.4 ttpp -44.86 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 27.9 m-85 -55.34 -47.72 75.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.4 mt -55.32 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' VAL . 1.2 mtt-85 -53.14 -55.96 20.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -38.42 -56.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.551 HG11 HD12 ' A' ' 53' ' ' LEU . 93.5 t -64.23 -54.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . 37.9 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 5.5 tmtm? -124.04 133.13 53.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 144.83 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.99 172.94 45.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.9 m95 -103.1 125.63 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD21 ' CD1' ' A' ' 103' ' ' TRP . 7.4 mt -124.77 144.49 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.59 105.67 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' A' ' 38' ' ' TYR . 24.9 tttt -99.84 129.52 45.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.66 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 89.3 m95 -114.37 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -111.09 118.74 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 113.92 8.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -122.76 165.75 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.6 t80 -100.51 104.19 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.826 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -93.1 134.65 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.55 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -126.09 126.02 43.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -118.62 -79.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.46 -150.23 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.1 mt-30 -74.76 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -165.0 145.71 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.4 tm? -99.64 123.05 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 47.6 m-85 -110.71 154.47 23.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 p90 -159.67 127.62 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.1 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.43 37.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.69 133.2 26.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.89 122.42 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -67.41 107.72 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.3 mt -62.12 -43.17 85.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.69 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -132.79 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 1.1 m -134.47 110.52 9.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.47 103.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD3' HD13 ' A' ' 76' ' ' ILE . 12.8 mtpp -110.99 141.44 44.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.74 91.59 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.9 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 9.0 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.508 0.194 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' MET . 49.8 t -138.24 124.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.59 138.24 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.3 pt-20 -117.99 145.08 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -103.95 132.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.561 HD13 ' HD3' ' A' ' 59' ' ' LYS . 2.2 mp -110.69 126.94 27.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.424 ' CB ' HG13 ' A' ' 76' ' ' ILE . 84.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.32 90.59 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.66 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 53.2 t -72.0 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.5 mt -109.29 138.09 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -132.44 121.02 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.26 159.14 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.2 p -81.96 -42.72 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -124.57 145.77 49.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 tt0 -51.71 -47.45 63.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.36 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.69 88.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.0 ttp -69.16 -59.91 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -39.99 -56.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -59.65 -49.74 76.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.778 ' CD1' HD21 ' A' ' 14' ' ' LEU . 6.5 m95 -53.72 -71.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' TRP . 41.2 t -40.39 -50.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -47.19 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 10' ' ' LYS . 16.2 m-85 -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.75 -70.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -51.15 -50.92 58.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -38.22 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 34' ' ' GLN . 54.0 t -50.42 -51.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' A' ' 106' ' ' PHE . 5.2 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -125.13 141.48 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.757 ' HG2' HG22 ' A' ' 30' ' ' VAL . 29.7 mtm -140.14 141.8 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.66 173.81 46.08 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -99.1 117.12 32.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.3 mt -117.32 151.05 37.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.52 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.2 127.77 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' OE1' HG11 ' A' ' 91' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 88.9 m95 -100.84 102.28 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 108.015 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -94.91 117.71 30.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -69.03 122.64 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.7 mmp_? -134.86 156.35 49.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.62 100.9 13.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 20.0 m-85 -89.79 141.66 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.757 HG22 ' HG2' ' A' ' 11' ' ' MET . 19.3 t -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -108.99 112.45 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.46 127.22 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 48.2 -138.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.07 44.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.5 mt-30 -150.9 136.62 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.748 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -100.24 124.59 45.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 26.2 m-85 -119.57 164.97 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -159.61 128.48 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.045 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.9 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.7 mm-40 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.34 127.8 4.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.07 140.02 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.52 115.39 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -63.14 104.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -57.98 -43.68 98.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 54.79 3.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.9 43.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.3 m -132.91 170.45 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.0 m -133.93 109.4 9.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.01 121.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -127.81 150.48 49.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -96.32 82.38 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.1 mm . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.3 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.506 0.193 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.47 141.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 10.8 p90 -149.27 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 1.2 pt-20 -117.59 145.77 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.78 129.57 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.631 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.4 mt -111.88 121.98 38.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.44 ' CB ' HG13 ' A' ' 76' ' ' ILE . 20.5 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -105.73 90.76 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.482 HG11 ' OE1' ' A' ' 17' ' ' GLN . 81.4 t -76.5 103.07 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.2 mt -112.02 147.29 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.523 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 31.3 ttp -133.08 142.05 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.43 162.82 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 m -80.73 -56.75 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -108.36 153.55 23.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.0 tt0 -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.05 -30.71 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.75 -49.73 17.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -62.61 -35.72 80.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.06 -43.32 87.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -66.7 -55.59 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' A' ' 31' ' ' LEU . 7.8 m95 -50.0 -55.17 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.19 -49.48 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -41.21 -61.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.726 ' CD1' HG21 ' A' ' 9' ' ' ILE . 36.7 m-85 -63.54 -53.77 46.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 mt -44.86 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -52.65 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -41.79 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.54 HG11 HD12 ' A' ' 53' ' ' LEU . 53.4 t -46.23 -52.25 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG22 ' CE1' ' A' ' 106' ' ' PHE . 5.7 mm . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -133.89 135.94 43.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 128.9 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 169.33 40.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.7 m95 -98.7 115.55 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 103' ' ' TRP . 52.0 mt -118.24 145.94 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -84.7 125.28 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -112.84 129.41 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 96.0 m95 -82.47 121.29 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.4 112.79 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 103.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.67 151.59 34.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.9 t80 -83.97 98.68 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HD2' HD11 ' A' ' 36' ' ' LEU . 21.8 m-85 -87.53 132.41 34.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -126.92 145.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -110.61 119.21 38.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -129.9 119.11 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.45 -142.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -86.41 57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 8.6 mt-30 -164.2 145.81 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.929 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.0 tm? -116.61 119.83 36.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.5 m-85 -114.49 164.16 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -158.69 126.51 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.4 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.26 169.82 23.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.02 136.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.97 130.96 40.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -83.1 106.86 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.929 HD21 ' HB2' ' A' ' 36' ' ' LEU . 17.7 mt -55.1 -44.5 99.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.4 33.5 1.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 19.9 m -128.67 174.87 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.6 m -134.12 111.8 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.615 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -82.14 103.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HE3' HD11 ' A' ' 76' ' ' ILE . 4.2 mtmt -103.4 144.95 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -102.52 115.32 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.837 HD11 ' OE2' ' A' ' 74' ' ' GLU . 14.0 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 21.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.485 0.183 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG22 ' HG3' ' A' ' 93' ' ' MET . 19.9 t -133.24 144.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -154.99 137.95 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.837 ' OE2' HD11 ' A' ' 61' ' ' ILE . 4.8 pm0 -111.51 145.1 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 92' ' ' LEU . 3.8 mt -103.69 109.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE3' ' A' ' 59' ' ' LYS . 2.7 mp -86.93 130.34 48.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.447 ' HH ' ' HE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -93.12 91.5 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.55 99.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 HD11 ' A' ' 75' ' ' ILE . 13.8 mt -107.99 151.84 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -140.27 134.77 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.04 165.35 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -81.07 -48.38 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -114.07 165.36 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 59.3 tt0 -74.0 -49.46 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.87 -26.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -79.65 -49.61 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 31.6 ttp -64.59 -34.16 77.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.12 -43.96 85.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -56.33 19.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.738 ' CD1' HD11 ' A' ' 14' ' ' LEU . 38.7 m95 -49.42 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 58' ' ' ILE . 53.9 t -43.51 -56.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -61.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.472 ' CE1' HG22 ' A' ' 9' ' ' ILE . 28.4 m-85 -59.1 -55.12 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.59 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -52.41 -46.72 66.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -47.61 -62.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' PHE . 19.4 t -59.99 -46.47 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 32' ' ' ARG . 57.9 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 9.8 tttp -141.06 138.49 33.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mtm -132.12 132.44 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 165.25 36.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.67 126.26 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 103' ' ' TRP . 4.8 mt -125.77 157.46 37.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.33 103.7 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -91.47 117.81 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 27.7 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 23' ' ' ASN . 23.3 p30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 79.3 m95 -126.92 124.56 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.79 114.63 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.63 103.13 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -116.86 176.01 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -100.38 102.94 14.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HD2' HD11 ' A' ' 36' ' ' LEU . 11.0 m-85 -87.26 135.12 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.8 122.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.85 HD12 HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -96.82 143.49 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.82 -151.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.73 119.88 24.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HA ' HG11 ' A' ' 110' ' ' VAL . 50.3 mt-30 37.19 44.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 9.6 mt-30 -165.33 151.09 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.85 HD23 HD12 ' A' ' 31' ' ' LEU . 3.1 tm? -126.94 141.8 51.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.657 ' N ' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -137.74 165.61 25.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.65 126.96 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.98 172.8 29.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.43 137.82 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -130.89 128.96 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 0.7 OUTLIER -79.35 113.58 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -63.89 -41.59 64.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.54 12.47 21.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 111' ' ' ALA . 15.3 p -89.09 166.15 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.2 m -134.54 100.53 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -83.61 115.78 26.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG3' HG22 ' A' ' 57' ' ' THR . 12.9 mtmt -119.7 120.99 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.66 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 8.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.516 0.198 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.04 132.86 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -143.01 139.48 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.1 pt-20 -113.3 137.24 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.5 126.48 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 89' ' ' SER . 3.1 mt -105.59 126.44 30.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 76' ' ' ILE . 63.1 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' OH ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -105.68 91.13 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.419 ' C ' HD23 ' A' ' 92' ' ' LEU . 19.3 t -76.6 96.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 11.0 mt -104.61 145.83 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.563 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 32.3 ttp -132.54 142.02 49.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -114.02 150.55 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.39 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -106.12 -174.25 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 53.3 tt0 -95.78 -46.8 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.01 -30.96 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -77.2 -46.79 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.0 ttp -63.34 -36.63 84.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.92 -41.81 95.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 9.0 tp10 -67.83 -47.07 70.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 10' ' ' LYS . 11.5 m95 -54.5 -61.1 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 58' ' ' ILE . 39.4 t -51.89 -46.86 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CE ' ' OE2' ' A' ' 102' ' ' GLU . 11.6 ttpp -43.94 -67.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 28.4 m-85 -55.56 -57.71 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 103' ' ' TRP . 9.6 mt -44.31 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HG2' HD13 ' A' ' 58' ' ' ILE . 3.6 mtt180 -54.89 -53.99 48.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -37.71 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 34' ' ' GLN . 58.0 t -46.42 -47.74 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 9.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' SD ' ' A' ' 11' ' ' MET . 4.4 tttt -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.501 ' CG ' HG22 ' A' ' 30' ' ' VAL . 3.8 mpp? -147.53 144.69 28.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 162.89 29.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 12.8 m95 -91.87 113.39 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 103' ' ' TRP . 24.1 mt -113.61 172.93 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.52 111.44 22.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -104.36 126.83 51.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 85.3 m95 -99.54 133.68 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -113.76 118.58 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.77 97.42 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.17 165.4 12.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 2.6 t80 -96.71 106.3 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' HD2' HD11 ' A' ' 36' ' ' LEU . 26.2 m-85 -92.3 140.91 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 11' ' ' MET . 20.4 t -131.08 135.21 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -105.47 107.08 17.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 74.1 ttt180 -127.25 146.07 50.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.66 -143.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.15 39.87 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.2 mt-30 -146.07 138.26 25.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.901 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.9 tm? -100.93 125.23 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.628 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -119.62 163.89 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -158.67 128.76 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.03 145.59 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.9 p -124.72 136.37 53.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.73 119.93 31.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.21 105.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 36' ' ' LEU . 53.7 mt -59.72 -43.47 95.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.3 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 3.5 m -135.03 170.81 15.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.502 ' O ' HD12 ' A' ' 76' ' ' ILE . 14.2 m -134.73 106.83 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.513 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -79.01 110.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -111.67 143.18 42.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -91.14 125.54 35.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 4.7 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.7 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.508 0.194 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.8 t -135.38 133.88 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -143.78 155.41 44.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -127.97 139.82 52.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.59 117.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 57' ' ' THR . 2.7 mp -94.94 134.54 24.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -108.46 91.09 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.508 HG12 ' CH2' ' A' ' 24' ' ' TRP . 71.0 t -76.67 99.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.12 144.58 33.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 ttp -130.69 140.29 50.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.62 156.17 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p -81.34 -42.42 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -117.32 156.24 28.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 46.4 tt0 -68.78 -49.78 55.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.44 -30.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.45 -50.68 11.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.6 ttp -61.75 -34.93 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.23 -43.69 90.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.41 -57.71 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.53 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 33.2 m95 -45.61 -61.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.02 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 58' ' ' ILE . 60.2 t -49.95 -51.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -46.74 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 30.6 m-85 -54.13 -52.0 62.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' C ' ' A' ' 103' ' ' TRP . 10.1 mt -52.16 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -45.08 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -47.86 -67.8 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 53' ' ' LEU . 88.0 t -54.17 -52.66 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 15.9 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 7.8 tmtm? -128.56 129.64 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.463 ' HG2' HG13 ' A' ' 30' ' ' VAL . 2.3 mtm -129.7 154.56 47.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.53 161.36 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -91.57 112.58 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 17.4 mt -111.01 156.51 21.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 2.9 mtmt -97.22 108.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 47.9 tttp -100.34 128.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 91.3 m95 -94.37 127.51 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 107.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -111.66 117.45 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 100.62 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -116.77 160.13 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.12 102.39 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 36' ' ' LEU . 17.8 m-85 -88.74 141.44 28.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG13 ' HG2' ' A' ' 11' ' ' MET . 69.4 t -135.87 139.01 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -105.99 121.87 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -142.81 129.16 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.67 -140.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -101.75 30.91 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -138.81 138.61 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.9 tm? -99.78 130.3 45.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.736 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.1 m-85 -122.67 161.91 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -153.54 132.45 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 9.1 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 15.1 mm100 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.98 166.7 17.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -149.24 115.9 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -116.76 123.33 46.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -69.81 104.64 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 10.1 mt -57.08 -43.84 99.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.07 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.768 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.65 43.42 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 15.5 m -131.57 173.47 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.548 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 m -134.44 103.95 5.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -81.44 102.08 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' CG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.72 146.25 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -99.35 98.96 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.8 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 93' ' ' MET . 19.8 t -124.02 128.2 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -143.11 136.47 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -110.58 139.05 46.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.4 117.17 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.5 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.3 mt -97.45 123.12 53.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.409 ' CB ' HG13 ' A' ' 76' ' ' ILE . 12.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -101.15 91.51 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 71.3 t -75.19 101.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.567 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 31.6 ttp -126.12 129.95 50.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -99.92 158.29 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -56.63 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.8 p -103.75 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 44.6 tt0 -94.96 -36.21 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.77 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.31 -42.63 30.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.589 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 27.7 ttp -70.36 -32.57 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.9 -45.07 71.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.23 -47.56 85.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 26.6 m95 -58.49 -67.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.015 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 58' ' ' ILE . 65.3 t -42.94 -50.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -64.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 12.2 m-85 -54.86 -54.28 44.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.83 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 104' ' ' VAL . 37.2 mtt180 -48.75 -43.5 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -54.26 -56.45 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.561 HG11 HD12 ' A' ' 53' ' ' LEU . 36.2 t -63.96 -51.48 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 5.4 tmtm? -146.58 120.72 9.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.73 147.3 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.61 158.75 20.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -88.37 129.43 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 103' ' ' TRP . 27.3 mt -129.71 157.7 41.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 108.7 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -100.88 130.9 46.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.657 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 77.1 m95 -127.55 133.75 49.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -114.44 117.05 29.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -79.44 97.91 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -110.96 176.16 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -101.06 102.69 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.1 m-85 -88.65 143.27 27.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.27 144.66 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -110.81 125.75 53.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -141.14 128.22 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.01 -141.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -97.17 52.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -158.36 145.84 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.791 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -107.81 129.67 55.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.578 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.5 m-85 -124.65 165.7 17.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -159.57 127.05 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 160.57 15.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 117.6 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.89 136.86 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -82.71 106.36 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 36' ' ' LEU . 29.7 mt -61.66 -43.89 89.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 54.46 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.64 43.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.28 161.69 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.542 HG22 ' HD3' ' A' ' 59' ' ' LYS . 1.9 m -121.98 116.13 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.56 108.55 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 76' ' ' ILE . 2.8 mtpm? -117.7 143.94 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -88.94 86.1 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.7 mm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 16.9 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.535 HG22 ' SD ' ' A' ' 93' ' ' MET . 96.4 t -131.64 134.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -145.66 137.59 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -117.1 145.28 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 92' ' ' LEU . 1.7 mt -107.71 131.27 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.565 HD11 ' NZ ' ' A' ' 59' ' ' LYS . 2.7 mp -111.03 129.73 23.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.426 ' CB ' HG13 ' A' ' 76' ' ' ILE . 13.5 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 m-30 -85.83 90.79 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 99.3 t -76.41 100.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.525 HD12 HD11 ' A' ' 75' ' ' ILE . 14.7 mt -109.19 141.93 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.535 ' SD ' HG22 ' A' ' 72' ' ' VAL . 21.1 ttp -132.2 139.98 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.61 162.35 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -80.94 -48.71 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -114.73 169.26 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 57.1 tt0 -75.98 -47.0 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.09 -28.92 11.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.59 -50.66 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.597 ' SD ' HG21 ' A' ' 104' ' ' VAL . 16.0 tmm? -61.29 -38.92 88.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.47 -41.27 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -63.93 -55.96 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.674 ' CD1' HD11 ' A' ' 14' ' ' LEU . 30.7 m95 -54.48 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.1 t -42.81 -50.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -47.39 -64.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 28.8 m-85 -54.14 -49.98 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.13 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -50.11 -43.78 51.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 53' ' ' LEU . 76.1 t -50.53 -53.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE2' ' CG ' ' A' ' 102' ' ' GLU . 2.5 tttp -142.7 139.4 31.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.461 ' HG3' HG13 ' A' ' 30' ' ' VAL . 3.7 mpp? -145.4 152.08 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.88 169.94 35.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -92.93 111.3 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 11.1 mt -112.72 151.53 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.65 113.45 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 19.5 tttm -104.06 125.89 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 86.7 m95 -118.91 129.65 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -112.66 115.11 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.83 101.92 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 163.02 15.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.21 100.1 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.702 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.7 m-85 -85.52 144.61 27.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 11' ' ' MET . 78.6 t -137.45 131.83 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.33 108.02 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.47 128.68 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.64 -143.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -90.13 57.35 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.4 151.43 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.1 tm? -116.96 128.27 55.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.557 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.8 m-85 -124.02 172.83 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -158.66 136.16 10.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 29.8 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.65 168.17 13.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 p -150.48 126.01 10.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 121.87 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.98 105.79 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -56.45 -43.93 99.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 81.48 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.54 41.31 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 10.3 m -130.68 170.08 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.658 HG22 ' HD2' ' A' ' 59' ' ' LYS . 38.6 m -131.95 111.31 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.38 118.85 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HD2' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -126.08 148.92 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -93.64 80.19 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.0 mm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 3.0 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.528 0.204 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 93' ' ' MET . 57.3 t -114.92 129.29 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -147.98 141.06 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.83 ' OE2' HD11 ' A' ' 76' ' ' ILE . 1.2 pm0 -113.39 148.42 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.414 HD11 HD12 ' A' ' 92' ' ' LEU . 2.9 mt -114.13 128.47 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.83 HD11 ' OE2' ' A' ' 74' ' ' GLU . 2.7 mp -108.88 130.64 22.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.89 91.64 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.9 t -74.02 96.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.453 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.3 mt -104.66 143.36 33.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.598 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.3 ttm -134.27 130.96 37.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -99.19 161.39 13.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 33.39 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 175.16 150.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 1.4 tt0 -66.62 -44.07 83.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.71 -28.04 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.35 -45.55 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.0 tmm? -70.41 -42.86 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.89 -42.72 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 9.6 tp10 -61.96 -67.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 45.4 m95 -44.15 -60.17 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.0 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.2 -58.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -40.07 -62.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -58.56 -48.62 80.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.5 mt -53.57 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.79 49.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -55.44 -63.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 53' ' ' LEU . 74.3 t -55.79 -49.06 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.659 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 5.9 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 4.5 tttp -135.43 124.81 24.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.71 123.19 38.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.69 -178.86 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.458 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 14.2 m95 -107.46 134.89 49.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.5 mt -133.8 167.07 21.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -104.59 115.11 29.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -104.82 122.27 45.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.652 ' NE2' ' CE2' ' A' ' 24' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 21.1 t30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.652 ' CE2' ' NE2' ' A' ' 17' ' ' GLN . 79.0 m95 -121.33 133.44 55.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -117.07 117.42 29.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -68.89 103.92 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -119.67 165.21 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD2' ' NE1' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -92.4 115.0 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 11.3 m-85 -104.22 128.61 51.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.25 145.87 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -111.55 111.72 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -122.8 131.5 53.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.04 -141.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -91.67 52.99 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.3 mt-30 -160.02 143.58 14.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.68 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -107.32 119.39 39.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.564 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.8 m-85 -115.86 168.24 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -158.46 129.08 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.543 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 22.2 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.07 163.65 12.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.435 1.084 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.5 p -145.04 121.26 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 127.38 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -72.91 106.86 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 18.2 mt -59.59 -43.32 95.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.05 60.75 5.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.57 44.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER -131.56 171.83 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -132.26 110.48 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.438 HD13 ' HD2' ' A' ' 108' ' ' ARG . 2.5 mp -87.14 102.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mtmt -102.51 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.99 107.51 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 15.0 mm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.7 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.536 0.207 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.3 t -138.14 132.99 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.26 135.37 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.2 pt-20 -112.94 142.9 45.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.17 128.95 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 mt -112.11 123.48 34.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' HG13 ' A' ' 76' ' ' ILE . 18.8 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -90.63 90.54 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG12 ' CH2' ' A' ' 24' ' ' TRP . 58.5 t -74.83 100.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -107.76 147.4 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.628 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 30.4 ttp -136.94 139.83 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.21 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.26 32.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -174.24 151.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 5.7 tt0 -73.08 -44.29 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.58 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -44.38 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.418 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.4 tmm? -73.05 -39.18 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.41 -43.99 95.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 3.1 tp10 -63.97 -55.13 24.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.63 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.3 m95 -54.75 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 107.956 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.8 t -53.86 -50.08 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.2 -61.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.659 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 40.0 m-85 -63.39 -53.0 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.1 -58.92 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -60.36 -55.23 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -39.52 -68.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 53' ' ' LEU . 60.8 t -48.35 -54.3 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.645 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.8 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 3.1 tmtm? -124.65 137.88 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -144.97 138.87 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.11 172.12 45.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.3 m95 -95.3 129.05 42.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.4 mt -128.17 168.07 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.13 104.04 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -94.27 128.35 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.6 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 75.5 m95 -112.03 140.95 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -119.35 117.36 28.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.28 99.11 4.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.0 176.04 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.4 t80 -104.78 111.35 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.8 m-85 -98.24 136.94 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.28 138.32 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -109.01 107.36 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -127.17 130.44 49.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.72 -141.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.53 52.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.3 mt-30 -159.13 136.89 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 tm? -99.83 127.59 45.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 30.0 m-85 -122.56 165.17 16.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 126.32 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.8 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 160.84 24.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.64 128.09 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.64 119.1 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -65.24 103.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 9.8 mt -58.22 -43.94 98.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 60.09 5.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.36 44.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.4 m -131.95 173.9 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -134.17 112.5 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.47 111.89 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 7.0 mtmt -117.69 144.94 44.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.76 112.08 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.845 HD11 ' OE2' ' A' ' 74' ' ' GLU . 19.2 mm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 14.1 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.525 0.203 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 93' ' ' MET . 78.3 t -128.36 144.21 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 16.8 p90 -158.71 143.18 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.845 ' OE2' HD11 ' A' ' 61' ' ' ILE . 5.6 pm0 -116.85 149.24 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.29 121.13 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.83 128.27 26.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -99.38 91.26 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.404 HG12 ' CH2' ' A' ' 24' ' ' TRP . 92.2 t -81.27 99.26 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' PHE . 14.1 mt -105.98 144.25 32.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 72' ' ' VAL . 5.1 ttm -130.63 135.54 47.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.73 150.33 24.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.5 m -117.57 165.15 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 61.2 tt0 -71.93 -53.41 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.97 -26.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.54 -48.65 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.613 ' SD ' HG21 ' A' ' 104' ' ' VAL . 19.1 tmm? -65.22 -41.89 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.24 -50.3 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.51 -49.91 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.0 m95 -57.27 -71.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 108.024 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.613 HG21 ' SD ' ' A' ' 100' ' ' MET . 54.5 t -40.49 -55.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -63.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-85 -57.32 -56.2 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.7 mt -46.2 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.36 -45.54 65.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -52.34 -66.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 53' ' ' LEU . 54.0 t -51.73 -52.68 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -110.27 146.2 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.8 74.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.67 -76.71 1.06 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 151.89 49.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p 172.67 -55.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 -171.23 23.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.0 -176.34 2.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.9 mp -116.56 -45.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' HB3' ' A' ' 102' ' ' GLU . 3.9 tttt -133.96 135.72 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -142.84 145.19 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.94 162.29 27.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -84.29 112.09 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.5 mt -113.03 157.21 21.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 116.12 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 30.3 tttm -106.52 128.92 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.727 ' NE2' HG11 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -65.93 138.55 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.26 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 p -75.11 -64.6 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.86 55.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -146.39 158.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 38.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -116.21 166.98 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 84.9 m95 -120.83 140.64 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.66 106.69 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -73.35 100.58 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -118.74 163.48 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 1.5 t80 -88.97 103.94 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 14.3 m-85 -88.82 142.08 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -135.98 143.01 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -110.27 108.88 19.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG3' ' CA ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -123.11 124.32 42.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.6 -142.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.5 56.28 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mt-30 -162.95 139.0 7.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.8 tm? -102.85 127.64 49.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 36' ' ' LEU . 29.3 m-85 -123.14 167.8 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 127.5 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.4 m-85 -113.39 158.48 20.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -65.45 -39.89 92.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -143.69 179.25 7.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -98.59 40.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -125.54 -54.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 164.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.6 p -129.32 36.39 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -141.47 123.56 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -79.85 -70.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.05 150.97 17.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.3 p -136.97 119.49 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -115.31 123.79 49.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -70.91 106.95 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 36' ' ' LEU . 23.7 mt -59.05 -43.33 97.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 55.77 4.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.04 43.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.81 170.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.426 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -134.31 106.19 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.498 HG21 HG13 ' A' ' 104' ' ' VAL . 2.7 mp -84.13 112.11 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.7 mtmt -116.82 129.01 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.13 110.38 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -92.28 142.15 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -111.66 140.01 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 64' ' ' ASN . 26.7 m -66.29 -127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' H ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -61.06 159.28 29.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.4 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -50.19 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -47.44 148.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.02 135.13 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 70' ' ' LYS . . . 87.74 84.64 1.19 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -138.37 137.91 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 2.5 m-85 -110.8 77.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.57 137.89 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -154.26 135.25 13.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.1 pt-20 -112.02 145.08 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -103.4 127.87 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -107.01 120.96 46.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.02 159.29 41.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 162.12 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.7 m 53.4 101.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 80' ' ' TRP . 59.5 t90 -161.13 92.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.56 -47.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.14 41.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.06 84.82 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.98 43.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 45.1 mtp -128.14 -74.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.74 108.59 0.36 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -166.26 79.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.03 146.16 28.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.435 ' CB ' HG13 ' A' ' 76' ' ' ILE . 66.6 p -57.64 176.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -103.91 91.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.727 HG11 ' NE2' ' A' ' 17' ' ' GLN . 61.2 t -71.84 103.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.74 145.38 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -139.76 134.75 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -105.57 153.22 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -68.49 -55.29 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -105.68 161.14 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 41.1 tt0 -70.43 -57.72 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -40.76 -29.78 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 3.8 tt0 -77.64 -49.26 14.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.546 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 30.2 ttp -63.99 -35.82 81.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.04 -45.57 91.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.1 -58.57 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.7 ' CD1' HD11 ' A' ' 14' ' ' LEU . 18.0 m95 -46.04 -62.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 58' ' ' ILE . 54.6 t -50.72 -53.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.86 -63.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 20.6 m-85 -56.61 -54.66 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 HD23 ' A' ' 36' ' ' LEU . 12.4 mt -48.28 -62.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -43.88 77.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -71.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.5 t -48.07 -48.93 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.83 -38.21 47.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.83 -51.71 38.16 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.2 t -61.11 119.23 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.07 -173.88 23.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 84.75 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.0 m -162.21 110.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 p -77.55 -0.28 25.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -78.26 123.05 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -130.16 89.88 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.92 -84.34 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.92 141.36 25.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.786 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.54 109.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.69 -171.11 24.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.7 mt -129.13 -57.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.4 126.56 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.14 142.42 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.87 166.64 35.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.463 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.9 m95 -100.04 121.8 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 103' ' ' TRP . 14.3 mt -122.26 152.76 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -87.29 113.34 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -102.19 131.31 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 125.7 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.35 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 179.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -48.81 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.49 63.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -130.16 8.8 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt 44.53 64.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.469 ' HB2' HG23 ' A' ' 21' ' ' VAL . 9.3 t-20 -146.14 171.19 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 82.1 m95 -126.59 122.58 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.27 120.51 42.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 99.13 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 168.38 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 3.4 t80 -107.23 108.38 19.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 92' ' ' LEU . 39.4 m-85 -100.34 136.67 39.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -130.65 135.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.531 HD11 HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 ttt180 -132.43 134.7 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 47.13 -144.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.88 29.68 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 16.0 mt-30 -135.5 142.02 45.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.5 tm? -106.66 124.66 49.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -118.0 161.93 18.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.2 126.21 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 44' ' ' ASP . 33.2 m-85 -108.31 148.54 29.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -172.42 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.3 tt0 -77.88 -51.37 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' ASP . 3.5 mt-10 -77.29 -89.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 4.2 t70 39.67 85.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.4 p -54.04 -54.78 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.7 tpmt? -72.78 127.26 89.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.04 154.52 42.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -83.14 -55.42 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.98 172.18 23.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.33 136.45 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 124.11 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -74.72 107.6 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.962 HD21 ' HB2' ' A' ' 36' ' ' LEU . 27.8 mt -57.07 -43.3 99.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.05 91.15 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.91 3.69 8.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -93.15 172.95 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 m -134.3 100.57 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 108' ' ' ARG . 2.0 mp -81.19 115.27 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 14.5 mtmt -121.27 147.89 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.17 98.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.579 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.6 mm -74.12 130.05 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.0 149.4 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -92.57 140.14 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.47 167.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.98 4.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.95 -77.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.82 -156.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.14 61.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.0 156.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -160.52 155.6 24.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 10.0 m-30 -110.14 65.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.602 HG13 ' HB2' ' A' ' 93' ' ' MET . 2.6 t -126.41 126.12 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -141.14 140.35 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.4 pt-20 -114.85 151.06 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.79 HG22 ' SG ' ' A' ' 56' ' ' CYS . 5.1 mt -107.2 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -92.82 117.01 67.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.95 153.95 42.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -39.94 -60.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.23 150.23 30.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 2.0 p90 -168.24 48.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.96 -56.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 177.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.98 -177.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -95.14 30.9 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.64 60.0 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.47 155.27 46.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 39.74 62.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.11 97.9 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 p -93.78 180.0 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 2.4 m-30 -100.64 91.13 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 101.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 18.0 mt -111.64 146.6 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.602 ' HB2' HG13 ' A' ' 72' ' ' VAL . 1.6 tmm? -140.61 132.02 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -99.43 -179.64 4.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -93.77 -47.56 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -116.52 173.06 6.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 16.3 tt0 -77.09 -44.43 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.43 -28.54 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -76.12 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.45 ' SD ' HG21 ' A' ' 104' ' ' VAL . 12.7 tmm? -57.3 -36.93 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.2 -41.38 98.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.54 -62.42 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.798 ' CD1' HD11 ' A' ' 14' ' ' LEU . 24.2 m95 -46.54 -59.29 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 ' SD ' ' A' ' 100' ' ' MET . 29.6 t -51.84 -51.12 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.7 ttpt -46.55 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 31' ' ' LEU . 36.9 mt -53.68 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HG2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -56.63 -51.22 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 5.5 ttm-85 -39.09 -58.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 53' ' ' LEU . 84.5 t -62.69 -43.59 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.87 52.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.39 54.54 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.2 t -106.71 160.25 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.07 172.06 0.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.46 41.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 p -169.56 145.97 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 99.6 p -165.39 88.52 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.44 157.93 5.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -178.65 144.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.25 -111.72 3.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m 51.19 99.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 p -88.39 103.92 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.02 -171.51 14.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.96 -174.51 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG22 ' CE1' ' A' ' 106' ' ' PHE . 3.3 mt -118.5 -40.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 4.1 tmtm? -139.17 133.22 31.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.433 ' CE ' ' HG2' ' A' ' 8' ' ' PRO . 2.3 mpp? -138.14 150.68 47.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.25 163.27 26.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -88.25 120.36 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 103' ' ' TRP . 8.9 mt -119.53 150.9 39.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 1.1 mtmt -91.67 100.26 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.01 127.55 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 3.1 tt0 -58.61 123.06 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.04 164.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -39.71 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mt -137.29 57.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG22 ' CB ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -124.98 9.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? 43.22 58.75 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.523 ' HB2' HG23 ' A' ' 21' ' ' VAL . 8.2 t-20 -143.85 170.81 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 93.4 m95 -116.9 122.93 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.25 112.86 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.57 97.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -113.2 167.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 3.0 t80 -97.61 116.65 30.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.0 m-85 -104.09 135.62 45.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.22 135.74 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.85 109.2 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -121.95 116.8 24.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.64 -143.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -91.74 49.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -155.92 145.53 21.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.701 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.0 tm? -107.43 125.01 50.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' N ' HD13 ' A' ' 36' ' ' LEU . 86.0 m-85 -115.28 164.64 13.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.4 p90 -159.15 126.22 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 9.9 m-85 -117.89 156.14 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -56.77 -37.07 70.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.05 -177.38 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -101.74 46.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.02 -48.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 164.67 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.6 p -112.39 -34.42 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -76.68 128.14 82.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.599 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.07 163.28 35.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -96.33 -54.04 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.38 160.27 25.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.1 p -136.03 133.51 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.87 124.25 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.76 107.77 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.653 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.5 mt -63.45 -43.31 78.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 88.23 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.73 -21.9 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -67.44 156.37 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.7 m -118.88 116.24 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.69 106.41 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 7.3 mtmt -110.89 130.6 55.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -86.17 111.01 19.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.4 mm -77.09 119.45 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.81 153.87 18.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 64' ' ' ASN . 44.4 m -90.03 176.92 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.595 ' H ' HG22 ' A' ' 63' ' ' THR . 1.4 t30 -40.42 159.26 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.56 3.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.776 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.12 31.15 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -119.53 176.58 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 172.74 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.62 146.67 35.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.73 157.54 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.2 m-85 -113.78 90.74 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.482 HG22 ' HG3' ' A' ' 93' ' ' MET . 21.5 t -134.26 129.88 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 100' ' ' MET . 18.5 p90 -142.68 133.69 25.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 1.8 pt-20 -111.53 146.4 37.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.66 135.16 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 mp -114.79 129.87 24.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.96 103.98 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' SER . . . 38.9 58.5 1.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' ALA . 70.1 p 37.8 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' GLN . 39.7 t-105 -59.73 167.65 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.0 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' TRP . 4.2 tt0 -94.54 106.03 18.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 173.72 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.76 34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.4 mtp -149.78 96.56 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.12 99.97 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.484 ' O ' ' CG ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -144.7 66.76 1.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.759 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.36 -52.46 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p 52.37 174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -95.02 91.07 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.434 ' C ' HD23 ' A' ' 92' ' ' LEU . 59.8 t -77.66 102.01 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 91' ' ' VAL . 13.7 mt -110.96 135.87 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.543 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.8 ttm -124.36 132.53 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -101.85 157.43 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -50.01 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 97' ' ' GLN . 1.5 t -111.7 174.35 5.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 48.3 tt0 -81.28 -48.04 12.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.97 -23.85 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.03 -54.5 5.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.5 ttp -58.79 -33.9 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.01 -47.74 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.46 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 tp10 -56.55 -60.19 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 28.9 m95 -50.3 -58.62 5.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 100' ' ' MET . 31.9 t -48.33 -55.93 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.5 ttpp -40.45 -58.31 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 38.0 m-85 -62.96 -55.36 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -49.06 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.0 ttt180 -46.81 -60.77 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.52 -50.72 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -50.1 -31.26 12.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 148.74 -75.43 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.2 OUTLIER 80.52 97.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' SER . . . -49.32 179.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.08 11.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.8 130.45 41.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m 42.34 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -99.39 133.77 43.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -115.61 91.99 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.42 87.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -62.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -139.17 86.49 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.48 -170.86 55.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.0 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' C ' ' HE2' ' A' ' 11' ' ' MET . 5.8 mt -119.84 -58.82 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.2 117.31 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.72 149.4 42.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.59 159.52 20.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -93.53 105.34 17.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.3 mt -105.94 147.85 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -83.94 118.09 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -109.8 129.38 55.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -76.24 99.53 4.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HD2' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.6 143.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ILE . 75.6 m -51.08 141.04 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.3 mt 39.23 58.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG12 ' H ' ' A' ' 23' ' ' ASN . 2.2 t -157.74 141.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -101.17 40.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.69 ' H ' HG12 ' A' ' 21' ' ' VAL . 7.6 t30 -122.53 173.74 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 79.1 m95 -129.79 112.08 13.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.92 118.2 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.61 101.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -108.7 149.01 29.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.25 98.04 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.772 ' HD2' HD11 ' A' ' 36' ' ' LEU . 30.3 m-85 -88.58 138.61 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.41 129.25 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 106' ' ' PHE . 0.4 OUTLIER -96.86 104.34 16.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 8.5 mtp85 -123.55 143.89 49.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.89 -144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.13 49.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 1.5 mt-30 -158.19 142.05 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -102.58 122.82 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 32' ' ' ARG . 11.9 m-85 -117.05 165.65 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p90 -159.89 126.52 4.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 19.7 m-85 -110.48 160.38 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 22.18 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 170.06 172.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 17.25 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.94 14.11 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 158.48 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -123.89 21.62 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -159.93 135.51 5.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.4 Cg_endo -74.97 131.58 14.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 18.4 mm-40 -64.92 -33.99 77.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -149.33 165.22 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 p -148.31 122.47 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.34 125.36 53.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.92 107.67 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -61.73 -43.01 86.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.04 55.34 3.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.669 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 153.98 44.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -134.42 172.41 12.94 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 59' ' ' LYS . 17.8 m -134.32 112.62 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -88.65 110.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.9 mtmt -117.63 144.56 45.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.18 102.4 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -75.59 113.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.72 153.3 35.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 m -105.11 148.31 26.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 55.97 167.25 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.32 7.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -150.72 -75.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.59 49.96 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.34 -155.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.18 106.07 2.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 164.01 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 -122.18 89.26 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG22 ' SD ' ' A' ' 93' ' ' MET . 58.4 t -143.13 137.4 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -150.36 138.19 20.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.6 pt-20 -110.76 153.45 25.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 92' ' ' LEU . 10.2 mt -111.7 121.28 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' A' ' 77' ' ' PRO . 2.5 mp -104.85 139.0 19.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -108.79 -45.26 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -33.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CE2' ' HA ' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -68.2 -76.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 80' ' ' TRP . 0.5 OUTLIER 80.8 -58.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.88 174.04 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -156.24 25.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 25.33 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 mtt -168.3 87.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.12 -111.28 3.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 18.8 tm0? 67.54 90.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.23 76.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 76' ' ' ILE . 60.3 p -55.79 -179.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -96.55 90.93 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.93 103.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 75' ' ' ILE . 16.6 mt -111.94 151.46 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.577 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 27.2 ttp -140.54 144.85 36.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 155.53 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -60.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.9 p -97.12 -178.11 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 42.7 tt0 -90.79 -40.28 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.63 -24.8 66.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.64 -39.71 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.552 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.2 ttp -73.27 -37.38 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.12 -37.81 88.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.49 -60.75 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.805 ' CD1' HD11 ' A' ' 14' ' ' LEU . 29.9 m95 -47.17 -56.14 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.499 HG13 HG21 ' A' ' 58' ' ' ILE . 46.8 t -54.25 -48.53 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -63.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 31' ' ' LEU . 20.8 m-85 -55.3 -46.77 76.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.92 -69.69 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -42.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -51.3 -59.01 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.571 HG11 HD12 ' A' ' 53' ' ' LEU . 40.3 t -59.01 -51.72 69.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.4 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.11 77.24 1.06 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 t -159.71 133.46 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.74 178.48 20.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.71 5.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.05 84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.9 m -98.69 -62.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.075 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -146.05 139.76 26.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.78 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -127.78 -59.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.01 -118.52 4.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p 41.37 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 -54.45 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.4 -170.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.98 -174.2 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 10.5 mt -116.45 -41.66 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HE2' ' CD2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -141.4 129.07 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.484 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -132.77 125.74 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . -167.93 -159.48 13.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.51 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 17.1 m95 -119.8 145.83 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 103' ' ' TRP . 19.0 mt -147.08 159.53 43.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -98.38 118.49 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 16.7 tttm -114.39 136.17 53.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -66.58 135.15 53.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -174.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 m -48.32 -94.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.627 ' C ' HG12 ' A' ' 21' ' ' VAL . 1.7 mt -120.81 86.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG12 ' C ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER 178.13 150.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.37 74.63 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.75 134.79 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.2 m95 -100.93 133.0 46.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.8 113.84 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.42 103.87 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.72 159.93 31.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -78.61 126.36 30.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 6.9 m-85 -117.22 118.9 33.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 11' ' ' MET . 41.9 t -118.04 149.4 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -116.7 118.29 32.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 1.5 ttt180 -127.14 131.45 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.44 -140.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -91.7 55.03 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.5 mt-30 -160.17 149.3 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.4 tm? -114.22 124.35 51.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.585 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.4 m-85 -120.19 165.6 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -156.13 131.4 9.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -110.6 142.84 41.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -51.69 -45.61 63.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -146.82 179.92 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.02 39.53 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.68 -59.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.58 158.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 p -108.57 -27.29 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -94.35 144.84 28.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -74.98 169.41 22.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -105.04 -69.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.99 167.34 13.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.2 p -149.22 128.17 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.94 126.47 45.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER -74.98 107.84 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.0 mt -59.32 -43.37 96.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 57.88 4.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . 154.14 44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 17.7 m -136.64 172.35 13.14 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.3 m -134.44 113.43 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.454 HG21 HG13 ' A' ' 104' ' ' VAL . 2.5 mp -85.68 111.3 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -118.42 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.77 108.22 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.0 mm -78.41 124.33 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.65 148.99 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 m -66.35 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -60.1 161.07 13.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.2 46.87 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -149.93 157.03 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.74 94.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.47 41.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 118.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.6 m-85 -84.62 88.73 7.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.91 143.79 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -161.0 132.87 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.2 pt-20 -107.18 152.16 24.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mt -110.48 121.32 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -101.88 125.46 36.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.0 153.9 42.08 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' PRO . . . -40.17 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m 61.12 -174.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 3.5 t90 67.83 69.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.67 168.67 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 59.01 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' ARG . 4.1 m-20 -44.56 -54.63 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 2.8 tpt180 36.76 65.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 ptp 37.95 57.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.9 113.49 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -178.25 88.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.43 -60.26 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.446 ' CB ' HG13 ' A' ' 76' ' ' ILE . 59.9 p 50.31 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.36 91.0 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.1 t -72.04 101.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 mt -109.4 149.13 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -143.19 135.21 26.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -104.88 152.77 22.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -50.14 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 51.8 tt0 -95.78 -52.39 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.94 -26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -49.14 19.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.525 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.7 ttp -64.38 -35.98 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.4 -42.2 88.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.11 -50.99 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.3 m95 -56.77 -50.87 70.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' MET . 46.7 t -60.26 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 10.5 m-85 -49.16 -53.46 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 103' ' ' TRP . 15.9 mt -51.66 -66.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -51.88 -38.19 55.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -54.79 42.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 53' ' ' LEU . 77.1 t -66.17 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -50.7 -25.54 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -69.44 -75.48 0.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -57.04 116.69 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.19 -166.11 39.22 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.28 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.6 m 64.32 101.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.7 -58.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -156.84 -59.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.974 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -106.64 150.01 26.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.74 85.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -116.93 167.9 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.32 -57.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 173.92 43.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' CB ' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.01 162.38 37.2 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.512 HG22 ' CE1' ' A' ' 106' ' ' PHE . 4.0 mt -90.56 -53.79 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -125.71 126.23 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 135.37 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.43 170.27 42.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.0 142.35 28.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 103' ' ' TRP . 31.9 mt -140.72 156.04 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -94.94 116.87 29.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -108.52 130.9 55.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.63 146.88 52.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.614 ' CB ' HG13 ' A' ' 21' ' ' VAL . 2.4 mtp180 -61.6 -177.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -47.31 72.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . 9.8 mt -132.38 -60.65 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.614 HG13 ' CB ' ' A' ' 18' ' ' ARG . 2.8 p -40.25 147.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -90.46 74.2 6.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.55 148.07 42.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 77.3 m95 -101.17 129.97 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -112.61 115.93 29.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.31 115.49 11.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -129.54 173.8 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -102.73 103.79 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.741 ' HD2' HD11 ' A' ' 36' ' ' LEU . 15.3 m-85 -92.44 132.99 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' A' ' 8' ' ' PRO . 14.4 t -127.37 136.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -102.51 113.81 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -128.16 136.35 51.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.06 -141.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.19 53.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -161.61 140.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -101.68 126.97 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.6 m-85 -121.15 168.43 11.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.3 p90 -159.62 126.05 4.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 20.4 m-85 -109.12 156.07 20.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -58.73 -51.62 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -136.16 -172.83 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.17 40.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 44.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.77 155.12 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.4 t -118.62 17.19 13.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -146.78 130.93 8.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.01 154.37 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mm-40 -87.55 -52.0 5.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.5 169.02 16.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.435 1.085 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.4 p -149.16 120.25 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.04 118.43 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -64.57 106.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.1 mt -59.9 -43.5 94.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.04 56.18 4.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.55 43.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -133.08 170.59 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -134.25 107.07 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 102.83 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 12.0 mtmt -100.25 124.93 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.56 101.02 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.6 mm -73.98 92.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.33 153.68 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 64' ' ' ASN . 24.1 m -86.74 179.64 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.643 ' H ' HG22 ' A' ' 63' ' ' THR . 1.2 t30 -40.66 159.74 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.11 2.16 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.1 27.04 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.93 176.08 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.93 127.55 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.94 136.68 24.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 168.91 12.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.788 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.6 m-85 -123.74 89.6 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ILE . 6.5 t -139.94 133.63 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -144.34 133.63 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.5 pt-20 -110.02 139.03 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -95.34 123.6 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 mt -105.13 122.74 42.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -75.07 167.28 27.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.57 160.3 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.42 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 2.1 p-90 -140.26 65.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -123.8 56.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.2 77.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -110.96 40.1 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 69.51 7.78 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 ptm -143.11 138.26 29.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.67 166.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.95 55.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.12 169.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.464 ' CB ' HG13 ' A' ' 76' ' ' ILE . 11.2 p -113.89 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -92.96 91.52 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 91.0 t -73.67 103.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.5 mt -112.07 140.89 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.578 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 36.6 ttp -133.62 138.78 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.86 173.81 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -53.21 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -113.12 155.92 24.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 61.6 tt0 -62.34 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.71 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.89 -52.93 9.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.88 -35.09 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.63 -45.64 82.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.6 tp10 -59.23 -59.72 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.634 ' CD1' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -48.42 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' ARG . 50.6 t -44.27 -56.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -60.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 9' ' ' ILE . 25.8 m-85 -60.94 -53.49 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.51 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' VAL . 11.0 mtt180 -49.34 -47.39 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -49.16 -69.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 53' ' ' LEU . 55.8 t -48.38 -49.93 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.38 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.95 74.04 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.52 151.55 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.96 -178.39 41.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 84.69 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.8 m -146.28 -57.16 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 m -53.47 -59.42 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 p -140.92 -48.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.28 -52.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.9 165.7 54.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.11 96.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -127.56 131.65 49.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.54 -170.06 14.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 -167.63 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.97 -56.58 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 5.2 tttp -123.2 127.52 48.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.712 ' HG2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.96 129.86 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.61 170.82 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 8.7 m95 -94.14 126.78 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.6 mt -127.59 145.57 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -84.43 104.36 14.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -96.16 125.93 41.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CB ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 tt0 -55.28 158.84 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -95.63 -178.78 4.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 m -78.31 -94.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.733 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -102.18 95.25 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.733 HG12 ' C ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER 167.3 -30.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 64.0 67.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -128.73 155.01 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 88.9 m95 -103.18 107.29 18.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.049 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' NE2' HH12 ' A' ' 27' ' ' ARG . 7.9 mm-40 -98.92 110.0 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.03 97.9 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -106.27 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -108.73 105.0 14.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.76 147.13 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.712 HG22 ' HG2' ' A' ' 11' ' ' MET . 3.3 t -140.38 132.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.851 HD21 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.65 142.83 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -132.3 -153.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.86 117.92 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' ALA . 42.5 mt-30 36.28 44.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.347 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 3.0 mt-30 -165.25 153.31 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.965 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.8 tm? -130.1 137.22 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.784 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.1 m-85 -130.35 165.56 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -157.9 128.51 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 22.5 m-85 -114.12 147.52 38.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 7.9 mttm -58.08 -40.71 81.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.97 -176.85 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 42.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -58.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.07 169.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -114.15 -43.54 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -83.73 147.52 52.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 167.08 27.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -100.03 -38.96 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.29 166.16 25.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.2 p -142.5 126.73 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.67 133.97 49.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.16 106.46 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 36' ' ' LEU . 15.9 mt -56.63 -44.1 99.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.08 0.45 8.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -87.09 178.4 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.572 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 m -134.77 99.81 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.78 110.21 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' HG22 ' A' ' 57' ' ' THR . 18.1 mtmt -118.68 139.12 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.39 102.99 15.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.97 134.79 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.34 146.84 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -70.77 -5.52 30.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' CG ' ' HD2' ' A' ' 65' ' ' PRO . 3.5 t30 -160.09 153.47 18.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 64' ' ' ASN . 18.3 Cg_endo -75.01 51.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -177.65 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.49 153.53 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.67 61.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.81 -46.22 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.2 m-85 -85.64 72.78 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.36 127.55 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 11.4 p90 -144.5 131.08 19.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.9 pt-20 -107.39 151.37 25.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' SG ' ' A' ' 56' ' ' CYS . 7.0 mt -109.73 119.3 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.448 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -103.8 115.49 63.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.94 151.8 40.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.62 -39.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.7 t -57.03 -69.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.034 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 64.5 t90 46.45 90.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 108.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -49.42 136.97 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -112.01 133.57 54.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.46 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.09 88.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ptm 38.34 43.29 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.9 -166.14 41.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 57.14 67.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.72 -56.86 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.448 ' CB ' HG13 ' A' ' 76' ' ' ILE . 39.8 p 52.32 175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -103.72 91.19 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.433 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 64.5 t -72.28 102.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 75' ' ' ILE . 17.5 mt -112.26 137.89 49.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.561 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -131.1 134.98 47.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.24 140.67 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -58.91 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 p -98.98 171.72 7.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.6 tt0 -81.53 -51.81 7.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.19 -28.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.17 -47.55 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.9 ttp -66.01 -33.64 76.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.58 -48.16 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 7.6 tp10 -58.46 -51.91 67.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 14' ' ' LEU . 34.6 m95 -56.44 -63.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 t -46.32 -45.13 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.79 -63.13 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.435 ' HB3' HD13 ' A' ' 31' ' ' LEU . 15.8 m-85 -56.59 -42.62 78.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.05 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -39.73 57.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.1 ttt85 -55.06 -58.64 6.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.93 -40.64 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.49 -34.56 58.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 51.58 74.39 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 m -161.81 155.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.48 -170.17 13.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 105.11 2.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.71 166.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -80.05 116.91 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.94 144.55 31.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -179.13 114.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 116.41 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -145.54 162.04 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -167.03 112.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.83 -171.07 55.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.04 178.61 7.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -114.67 -61.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 7.9 tttp -124.24 134.63 53.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.439 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 mtm -133.75 122.51 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.66 166.48 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -84.87 128.84 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' CD1' ' A' ' 103' ' ' TRP . 19.7 mt -130.53 150.73 51.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 2.9 mtmt -86.07 138.09 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -136.33 116.59 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -43.06 155.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HB3' HG13 ' A' ' 21' ' ' VAL . 7.8 ttt-85 -90.28 -4.77 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.93 143.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mt 71.23 -63.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 18' ' ' ARG . 2.5 p -84.23 152.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 76.26 7.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -149.09 147.4 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.639 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 59.6 m95 -107.03 140.81 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -117.28 109.88 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 100.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -121.09 159.56 25.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -75.5 136.26 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 36' ' ' LEU . 14.8 m-85 -131.23 118.91 21.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 11' ' ' MET . 22.1 t -118.13 159.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -122.6 137.87 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -137.47 128.52 27.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.23 -102.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -126.41 62.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 20.1 mt-30 -162.29 148.24 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 29' ' ' PHE . 2.5 tm? -111.55 117.31 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 27.9 m-85 -117.01 161.76 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.607 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -151.93 132.06 13.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.49 149.55 34.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 1.5 mmtt -57.91 -43.28 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -162.58 166.6 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -33.8 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.51 -59.77 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.25 141.64 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.4 p -113.17 -36.3 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -83.32 139.18 41.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.0 130.47 13.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.95 -87.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.56 31.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.22 125.86 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -76.27 106.97 8.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 6.9 mt -58.68 -43.56 98.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 55.53 4.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.78 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.7 170.72 14.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -130.7 107.59 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.31 109.22 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 57' ' ' THR . 3.1 mtmt -118.21 127.74 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.65 105.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.42 HD11 ' CD ' ' A' ' 74' ' ' GLU . 32.6 mm -68.29 119.62 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.48 147.81 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 63' ' ' THR . 2.3 m -81.59 4.53 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.89 167.75 0.23 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -42.52 58.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.96 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 54.9 91.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.06 -49.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -54.95 142.58 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 -79.45 88.24 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG22 ' SD ' ' A' ' 93' ' ' MET . 34.1 t -137.34 144.14 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -163.57 140.13 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CD ' HD11 ' A' ' 61' ' ' ILE . 5.1 pt-20 -115.12 144.46 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 92' ' ' LEU . 3.5 mt -103.65 129.49 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.495 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.0 mp -109.29 122.7 38.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.04 159.74 40.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.72 154.97 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.48 74.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -173.52 168.17 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER 75.54 115.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 174.79 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.95 169.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -117.09 48.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.83 85.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.94 -166.1 24.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.21 -55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 80' ' ' TRP . 57.8 m-20 61.37 81.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.428 ' CB ' HG13 ' A' ' 76' ' ' ILE . 74.8 p -175.8 177.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -109.21 91.25 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.639 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.8 t -70.92 99.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 75' ' ' ILE . 15.2 mt -109.25 149.22 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.508 ' HE1' ' CE2' ' A' ' 24' ' ' TRP . 18.0 ttp -140.51 143.3 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 146.38 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.3 m -95.77 38.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 179.83 139.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 40.0 tt0 -63.03 -48.36 79.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.75 68.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.03 -52.73 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.5 ttp -61.85 -34.09 75.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.98 -50.38 49.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HG2' ' CE ' ' A' ' 10' ' ' LYS . 1.4 tp10 -55.3 -51.11 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.668 ' CD1' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -57.26 -68.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -43.96 -45.72 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -60.28 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -60.65 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.46 -67.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -44.78 56.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -55.17 -70.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.5 t -47.51 -51.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.07 -41.96 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.89 -66.9 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 t -39.42 104.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.08 -166.14 28.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.71 39.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.9 p -63.23 159.29 18.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.44 111.58 21.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.28 -58.2 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -156.82 157.92 35.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.16 89.82 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -79.82 -68.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -148.71 140.55 23.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.54 -171.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.97 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.9 mt -106.49 -68.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -128.81 136.52 50.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.9 143.14 50.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.82 165.53 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -97.88 123.98 42.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 103' ' ' TRP . 64.8 mt -124.41 145.92 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -89.75 112.19 23.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -96.29 142.28 28.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.17 130.08 35.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -76.56 164.41 25.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 p -74.23 136.48 42.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 66.01 -84.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 18' ' ' ARG . 7.7 p -49.48 120.91 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.31 68.7 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.02 139.79 53.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.677 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 95.3 m95 -88.91 140.61 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 11.4 tp60 -122.91 113.09 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.5 105.4 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -121.45 167.69 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 2.3 t80 -100.6 105.55 16.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.744 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -95.51 135.64 36.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.48 145.88 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -109.88 130.18 55.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -150.57 143.49 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 43.0 -139.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HA ' HG11 ' A' ' 110' ' ' VAL . 23.5 mt-30 -103.8 44.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -152.27 141.8 21.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 tm? -99.79 129.03 45.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' HD13 ' A' ' 36' ' ' LEU . 11.1 m-85 -122.51 162.86 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -159.93 132.26 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.3 m-85 -117.13 150.45 38.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -54.16 -25.67 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -165.31 -172.88 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -103.34 43.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.12 24.39 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -120.46 -176.32 3.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.4 p -127.91 -46.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.85 139.25 27.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.4 38.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 2.7 mm-40 -79.36 -46.5 17.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.06 171.55 19.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.1 p -150.61 127.5 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.18 145.29 47.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -91.37 106.94 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.8 mt -63.93 -44.13 77.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 65.65 6.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 138.63 42.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -127.56 160.29 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 111.74 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 104' ' ' VAL . 1.4 mp -85.56 99.09 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mttt -92.72 132.08 37.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -95.06 84.81 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.629 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.3 mm -68.05 132.43 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.91 153.83 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.7 m -75.08 -1.05 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.48 166.0 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.68 8.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -90.78 -64.39 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -40.46 136.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' LYS . . . -44.43 137.49 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.67 93.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -51.77 151.09 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 -73.98 68.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.6 t -137.73 122.01 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 p90 -138.06 141.08 40.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' ' 76' ' ' ILE . 3.6 pt-20 -114.28 132.52 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 mt -90.6 125.69 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 59' ' ' LYS . 4.0 mt -108.75 122.04 41.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.496 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -74.96 81.23 2.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 47.23 -173.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 p -41.04 113.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CZ2' ' HA ' ' A' ' 88' ' ' ASP . 87.8 t90 -124.61 105.3 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.42 48.96 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' ARG . 4.4 mt-30 42.84 -99.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.7 t30 68.29 -67.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -179.46 42.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 30.6 mtp -144.74 134.28 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.37 170.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.15 -32.52 10.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER 176.49 171.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 32.5 p -58.3 179.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -99.6 90.73 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' C ' HD23 ' A' ' 92' ' ' LEU . 62.0 t -74.37 99.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.3 mt -109.78 138.16 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.677 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 29.2 ttp -126.73 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -106.53 138.89 41.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 p -60.77 -49.71 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -109.26 -176.01 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 44.4 tt0 -92.9 -51.97 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.91 -25.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -53.85 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 34.5 ttp -56.62 -38.14 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.4 -55.08 35.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 1.8 tp10 -56.83 -41.02 77.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 14' ' ' LEU . 9.7 m95 -62.63 -64.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 58' ' ' ILE . 77.6 t -51.65 -46.24 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -64.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 22.3 m-85 -60.06 -55.95 27.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 mt -42.6 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -53.35 -50.87 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -71.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 53' ' ' LEU . 49.6 t -50.0 -53.0 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . -50.5 -26.87 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . 62.39 86.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.02 107.64 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.22 -172.46 14.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 142.35 27.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.2 p -136.91 118.99 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.97 121.17 8.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 m -146.15 154.9 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -108.68 93.88 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.04 91.91 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -176.22 92.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -72.99 133.26 44.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.69 -171.11 18.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 20.5 mt -124.35 -60.75 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 2.2 tmtm? -126.08 126.43 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 146.38 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . 176.21 -153.55 14.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -123.01 156.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 6.7 mt -155.55 139.64 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -81.34 109.52 15.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -101.62 124.32 47.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.39 142.61 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' HB3' HG13 ' A' ' 21' ' ' VAL . 23.9 ttt180 -85.53 163.55 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 m -74.19 135.28 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 mt 66.42 -81.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' A' ' 18' ' ' ARG . 7.2 p -50.59 123.18 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 73.12 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -136.79 135.46 38.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.72 ' CH2' HG12 ' A' ' 91' ' ' VAL . 59.0 m95 -87.46 134.54 33.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HG2' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -118.12 119.05 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 109.54 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 8.8 mmt-85 -124.29 177.29 5.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -99.89 133.4 44.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m-85 -125.86 132.57 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.11 143.19 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.54 113.1 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -93.9 -73.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.36 129.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 42.15 30.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.1 mt-30 -164.23 136.4 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.801 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.7 tm? -109.9 123.06 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.496 ' N ' HD13 ' A' ' 36' ' ' LEU . 46.8 m-85 -117.16 158.71 23.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -156.08 129.74 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -104.78 147.79 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 15.0 mttt -54.84 -47.32 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.89 -176.53 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.6 45.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -125.87 -58.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 167.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' THR . 13.2 t -126.09 51.17 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.19 142.29 4.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.69 17.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -113.09 -72.54 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.09 21.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.8 p -150.47 118.2 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.11 123.32 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 108.8 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.6 mt -59.37 -43.22 96.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 57.41 4.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.3 43.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 2.9 m -136.37 170.28 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.486 HG22 ' CD ' ' A' ' 59' ' ' LYS . 5.1 m -130.6 110.88 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -89.96 102.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' CD ' HG22 ' A' ' 57' ' ' THR . 23.8 mtpt -107.81 148.92 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -94.47 124.6 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.006 HD11 ' OE2' ' A' ' 74' ' ' GLU . 8.8 mm -103.95 147.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.66 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 m -99.58 137.16 38.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.08 167.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.79 84.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.67 42.44 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.13 55.74 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.34 -167.4 3.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -173.86 153.7 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 13.7 m-85 -88.86 65.07 7.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.547 HG22 ' SD ' ' A' ' 93' ' ' MET . 40.7 t -128.16 151.01 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -160.36 145.5 14.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 1.006 ' OE2' HD11 ' A' ' 61' ' ' ILE . 1.6 pm0 -117.77 142.32 47.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.68 121.99 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.464 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.5 mt -105.55 127.79 27.81 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.0 168.77 24.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' TRP . . . -66.49 -68.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -58.21 85.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 174.13 60.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.69 -50.91 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -170.33 142.55 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.09 43.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmt -145.46 -62.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.8 109.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.78 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.37 128.19 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p 179.17 -174.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -101.96 91.73 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.72 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.7 t -79.68 98.13 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 12.6 mt -106.26 150.95 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 72' ' ' VAL . 17.7 ttp -139.95 137.78 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.81 164.09 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -51.06 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -115.49 160.51 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.4 tt0 -64.74 -49.82 69.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.79 -33.48 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.05 -54.46 8.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 104' ' ' VAL . 17.6 tmm? -57.32 -38.51 74.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.82 -43.05 99.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 3.7 tp10 -62.76 -57.24 11.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 40.4 m95 -53.71 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 107.976 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.6 t -41.82 -51.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 5.4 ttpp -44.86 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 27.9 m-85 -55.34 -47.72 75.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.4 mt -55.32 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 1.2 mtt-85 -53.14 -55.96 20.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -38.42 -56.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.551 HG11 HD12 ' A' ' 53' ' ' LEU . 93.5 t -64.23 -54.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . -50.27 -22.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -134.16 52.72 0.8 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 127.61 33.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.11 -172.77 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.09 33.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -92.7 143.68 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.1 t -86.15 139.32 31.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -64.47 160.51 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 0.804 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.53 -59.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.71 -79.69 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m 63.39 87.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 110.041 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.65 78.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.67 -170.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -74.94 -169.81 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 mt -108.95 -72.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 5.5 tmtm? -124.04 133.13 53.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 144.83 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.99 172.94 45.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.9 m95 -103.1 125.63 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.778 HD21 ' CD1' ' A' ' 103' ' ' TRP . 7.4 mt -124.77 144.49 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.59 105.67 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' A' ' 38' ' ' TYR . 24.9 tttt -99.84 129.52 45.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -53.97 124.14 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HB3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.45 173.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -42.22 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -141.0 60.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 23' ' ' ASN . 1.7 m -125.92 11.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 43.69 51.51 6.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.587 ' HB2' HG23 ' A' ' 21' ' ' VAL . 64.7 t30 -136.81 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.66 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 89.3 m95 -114.37 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -111.09 118.74 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 113.92 8.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -122.76 165.75 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.6 t80 -100.51 104.19 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.826 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -93.1 134.65 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.55 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -126.09 126.02 43.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -118.62 -79.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.46 -150.23 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.1 mt-30 -74.76 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -165.0 145.71 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.4 tm? -99.64 123.05 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 47.6 m-85 -110.71 154.47 23.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 p90 -159.67 127.62 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 6.1 m-85 -119.6 135.98 54.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -23.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -160.62 171.21 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.91 49.33 1.02 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.68 -69.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 160.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -113.86 39.82 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -144.23 130.27 9.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.05 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -47.67 -24.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.43 37.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.69 133.2 26.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.89 122.42 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -67.41 107.72 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.3 mt -62.12 -43.17 85.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.69 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -132.79 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 1.1 m -134.47 110.52 9.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.47 103.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD3' HD13 ' A' ' 76' ' ' ILE . 12.8 mtpp -110.99 141.44 44.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.74 91.59 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.9 mm -73.37 119.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.25 152.68 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 162.77 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 55.19 169.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.58 8.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -117.47 -74.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.75 -156.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.15 46.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.92 95.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 38.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 9.0 m-85 42.77 80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' MET . 49.8 t -138.24 124.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.59 138.24 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.3 pt-20 -117.99 145.08 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -103.95 132.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.561 HD13 ' HD3' ' A' ' 59' ' ' LYS . 2.2 mp -110.69 126.94 27.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 100.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.546 ' CZ3' ' HA ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -174.71 72.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.044 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.18 102.59 6.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.28 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.06 143.43 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.55 -10.81 18.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 ptm -158.53 37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.24 150.43 22.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 1.3 tt0 -170.49 82.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLN . 16.9 t70 -40.29 -57.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.424 ' CB ' HG13 ' A' ' 76' ' ' ILE . 84.1 p 53.01 172.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.32 90.59 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.66 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 53.2 t -72.0 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.5 mt -109.29 138.09 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -132.44 121.02 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.26 159.14 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.2 p -81.96 -42.72 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -124.57 145.77 49.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 tt0 -51.71 -47.45 63.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.36 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.69 88.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.0 ttp -69.16 -59.91 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -39.99 -56.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -59.65 -49.74 76.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.778 ' CD1' HD21 ' A' ' 14' ' ' LEU . 6.5 m95 -53.72 -71.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' TRP . 41.2 t -40.39 -50.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -47.19 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 10' ' ' LYS . 16.2 m-85 -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.75 -70.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 112' ' ' GLY . 6.0 mtt180 -51.15 -50.92 58.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -38.22 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 34' ' ' GLN . 54.0 t -50.42 -51.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.7 14.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -128.85 52.8 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.0 t -62.0 112.21 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 54.78 -170.62 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -77.62 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.25 88.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.8 -55.56 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.47 116.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.59 166.33 12.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.93 81.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -39.77 43.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.82 -171.15 24.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.2 Cg_endo -75.01 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' A' ' 106' ' ' PHE . 5.2 mt -120.81 -63.32 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -125.13 141.48 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.757 ' HG2' HG22 ' A' ' 30' ' ' VAL . 29.7 mtm -140.14 141.8 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.66 173.81 46.08 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -99.1 117.12 32.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.3 mt -117.32 151.05 37.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.52 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.2 127.77 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' OE1' HG11 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -60.0 127.94 34.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -81.92 166.95 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -96.06 145.32 25.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt 70.78 -75.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 18' ' ' ARG . 1.6 p -58.23 -17.01 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' VAL . 2.6 mptt 38.99 64.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' HB2' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -122.0 171.51 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 88.9 m95 -100.84 102.28 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 108.015 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -94.91 117.71 30.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -69.03 122.64 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.7 mmp_? -134.86 156.35 49.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.62 100.9 13.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 20.0 m-85 -89.79 141.66 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.757 HG22 ' HG2' ' A' ' 11' ' ' MET . 19.3 t -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -108.99 112.45 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -126.46 127.22 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 48.2 -138.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.07 44.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.5 mt-30 -150.9 136.62 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -100.24 124.59 45.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 26.2 m-85 -119.57 164.97 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -159.61 128.48 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.045 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.9 m-85 -112.15 166.72 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -40.45 88.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 5.0 p30 -154.21 -175.28 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.17 37.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -138.9 36.2 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.92 155.23 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -114.38 -7.59 12.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -128.58 140.48 38.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.5 Cg_endo -74.92 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.803 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.7 mm-40 -99.31 -50.81 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.34 127.8 4.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.07 140.02 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.52 115.39 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -63.14 104.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -57.98 -43.68 98.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 54.79 3.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.9 43.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.3 m -132.91 170.45 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.0 m -133.93 109.4 9.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.01 121.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -127.81 150.48 49.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -96.32 82.38 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.1 mm -67.89 99.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.76 153.13 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 64' ' ' ASN . 58.8 m -61.05 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.42 ' N ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -45.8 159.9 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.54 15.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -116.97 51.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -148.22 150.46 33.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.99 92.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.8 -57.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.438 1.087 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 116.34 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.3 m-85 -82.82 96.43 8.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.47 141.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 10.8 p90 -149.27 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 1.2 pt-20 -117.59 145.77 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.78 129.57 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.631 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.4 mt -111.88 121.98 38.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.07 150.13 37.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.53 124.38 9.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.0 t 60.44 74.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.499 ' CD2' ' O ' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -44.99 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.032 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -149.37 170.3 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -94.61 99.11 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -149.08 90.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? 38.88 36.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 mtt -155.94 87.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 40.91 -151.46 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.77 38.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -172.28 -67.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.44 ' CB ' HG13 ' A' ' 76' ' ' ILE . 20.5 p -174.09 -177.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -105.73 90.76 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.482 HG11 ' OE1' ' A' ' 17' ' ' GLN . 81.4 t -76.5 103.07 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.2 mt -112.02 147.29 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.523 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 31.3 ttp -133.08 142.05 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.43 162.82 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 m -80.73 -56.75 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -108.36 153.55 23.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.0 tt0 -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.05 -30.71 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.75 -49.73 17.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -62.61 -35.72 80.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.06 -43.32 87.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -66.7 -55.59 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' A' ' 31' ' ' LEU . 7.8 m95 -50.0 -55.17 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.19 -49.48 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -41.21 -61.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.726 ' CD1' HG21 ' A' ' 9' ' ' ILE . 36.7 m-85 -63.54 -53.77 46.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 mt -44.86 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -52.65 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLY . 11.3 ttm180 -41.79 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.54 HG11 HD12 ' A' ' 53' ' ' LEU . 53.4 t -46.23 -52.25 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.43 -34.04 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' ARG . . . -55.9 -54.21 36.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.54 77.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 45.19 -168.48 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.91 29.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.7 p -54.64 102.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 m -108.38 148.29 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.76 -62.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.47 95.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.63 69.59 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 158.24 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.032 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 165.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.1 -171.01 45.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.02 -166.19 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG22 ' CE1' ' A' ' 106' ' ' PHE . 5.7 mm -119.46 -60.01 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -133.89 135.94 43.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 128.9 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 169.33 40.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.7 m95 -98.7 115.55 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 103' ' ' TRP . 52.0 mt -118.24 145.94 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -84.7 125.28 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -112.84 129.41 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.26 147.12 52.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.701 ' HB2' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -96.42 -174.75 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -98.08 128.21 44.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm 73.23 -68.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 18' ' ' ARG . 8.1 p -55.15 -19.35 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' VAL . 7.6 mptt 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -94.2 141.99 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 96.0 m95 -82.47 121.29 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.4 112.79 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 103.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.67 151.59 34.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.9 t80 -83.97 98.68 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HD2' HD11 ' A' ' 36' ' ' LEU . 21.8 m-85 -87.53 132.41 34.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -126.92 145.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -110.61 119.21 38.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -129.9 119.11 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.45 -142.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -86.41 57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 8.6 mt-30 -164.2 145.81 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.929 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.0 tm? -116.61 119.83 36.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.5 m-85 -114.49 164.16 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -158.69 126.51 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.4 m-85 -116.21 129.72 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -24.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -149.66 168.25 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -103.92 50.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.2 -58.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.03 164.24 18.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t -111.53 2.05 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 126.57 32.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.05 141.69 26.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -77.61 -40.66 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.26 169.82 23.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.02 136.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.97 130.96 40.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -83.1 106.86 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.929 HD21 ' HB2' ' A' ' 36' ' ' LEU . 17.7 mt -55.1 -44.5 99.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 118.4 33.5 1.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 19.9 m -128.67 174.87 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.6 m -134.12 111.8 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.615 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -82.14 103.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HE3' HD11 ' A' ' 76' ' ' ILE . 4.2 mtmt -103.4 144.95 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -102.52 115.32 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.837 HD11 ' OE2' ' A' ' 74' ' ' GLU . 14.0 mm -83.93 107.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.01 153.79 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 64' ' ' ASN . 89.8 m -92.29 175.04 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.54 ' H ' HG22 ' A' ' 63' ' ' THR . 1.1 t30 -41.46 159.8 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.27 2.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -95.68 34.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.92 171.92 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.97 150.75 33.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.51 140.54 24.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.8 138.45 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 21.1 m-85 -104.11 94.04 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG22 ' HG3' ' A' ' 93' ' ' MET . 19.9 t -133.24 144.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -154.99 137.95 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.837 ' OE2' HD11 ' A' ' 61' ' ' ILE . 4.8 pm0 -111.51 145.1 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 92' ' ' LEU . 3.8 mt -103.69 109.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE3' ' A' ' 59' ' ' LYS . 2.7 mp -86.93 130.34 48.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.96 161.22 39.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -53.56 -53.87 45.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.1 p -86.81 147.4 25.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 1.6 p90 -168.51 54.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -139.89 -63.26 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.13 76.91 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -171.36 169.25 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -117.71 59.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mmt -135.55 119.75 17.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 -78.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -109.67 54.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 0.735 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -41.44 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p -174.18 160.48 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.447 ' HH ' ' HE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -93.12 91.5 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.55 99.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 HD11 ' A' ' 75' ' ' ILE . 13.8 mt -107.99 151.84 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -140.27 134.77 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.04 165.35 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -81.07 -48.38 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -114.07 165.36 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 59.3 tt0 -74.0 -49.46 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.87 -26.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -79.65 -49.61 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 31.6 ttp -64.59 -34.16 77.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.12 -43.96 85.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -56.33 19.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.738 ' CD1' HD11 ' A' ' 14' ' ' LEU . 38.7 m95 -49.42 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 58' ' ' ILE . 53.9 t -43.51 -56.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -61.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.472 ' CE1' HG22 ' A' ' 9' ' ' ILE . 28.4 m-85 -59.1 -55.12 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.59 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -52.41 -46.72 66.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -47.61 -62.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' PHE . 19.4 t -59.99 -46.47 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . -57.68 -22.63 47.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -64.61 -61.6 5.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.51 146.59 9.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 155.06 178.76 29.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.55 9.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.71 167.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.0 m -52.54 154.03 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -168.1 145.81 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -152.07 80.64 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.22 -109.15 2.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -171.85 126.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.964 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -112.87 70.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.41 -171.05 49.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.04 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 32' ' ' ARG . 57.9 mt -122.11 -49.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 9.8 tttp -141.06 138.49 33.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mtm -132.12 132.44 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 165.25 36.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.67 126.26 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 103' ' ' TRP . 4.8 mt -125.77 157.46 37.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.33 103.7 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -91.47 117.81 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 27.7 tt0 -75.54 134.0 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -175.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' VAL . 64.5 m -99.31 141.34 32.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.9 mt 68.77 -68.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . 7.2 p -63.03 137.14 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 76.45 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 23' ' ' ASN . 23.3 p30 -132.43 161.5 33.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 79.3 m95 -126.92 124.56 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.79 114.63 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.63 103.13 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -116.86 176.01 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -100.38 102.94 14.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HD2' HD11 ' A' ' 36' ' ' LEU . 11.0 m-85 -87.26 135.12 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.8 122.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.85 HD12 HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -96.82 143.49 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.82 -151.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.73 119.88 24.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HA ' HG11 ' A' ' 110' ' ' VAL . 50.3 mt-30 37.19 44.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 9.6 mt-30 -165.33 151.09 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.85 HD23 HD12 ' A' ' 31' ' ' LEU . 3.1 tm? -126.94 141.8 51.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.657 ' N ' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -137.74 165.61 25.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.65 126.96 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 41.9 m-85 -113.31 166.58 11.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -69.58 -40.93 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.62 -176.88 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.15 46.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.63 -46.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.3 172.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.8 p -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.97 132.05 94.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.03 156.16 42.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -91.06 -39.87 11.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.98 172.8 29.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.43 137.82 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -130.89 128.96 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 0.7 OUTLIER -79.35 113.58 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -63.89 -41.59 64.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.686 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 108.54 12.47 21.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 111' ' ' ALA . 15.3 p -89.09 166.15 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.2 m -134.54 100.53 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -83.61 115.78 26.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG3' HG22 ' A' ' 57' ' ' THR . 12.9 mtmt -119.7 120.99 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.66 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -86.57 143.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.32 153.04 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 64' ' ' ASN . 29.7 m -85.2 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' H ' HG22 ' A' ' 63' ' ' THR . 1.2 t30 -59.41 158.99 18.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.46 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -55.49 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.44 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.87 45.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.85 174.44 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 167.74 20.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 8.6 m-85 -83.46 63.04 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.04 132.86 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -143.01 139.48 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.1 pt-20 -113.3 137.24 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.5 126.48 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 89' ' ' SER . 3.1 mt -105.59 126.44 30.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 156.17 43.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -73.42 65.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.62 83.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -150.99 120.43 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.62 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -79.57 134.63 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 82' ' ' GLN . 10.8 p30 46.15 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -157.98 30.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.5 mtp -110.64 150.35 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.29 -96.22 0.95 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.62 66.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' OD2' ' CG ' ' A' ' 84' ' ' ARG . 1.3 m-20 -40.9 -52.32 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 76' ' ' ILE . 63.1 p -159.29 -178.0 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' OH ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -105.68 91.13 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.419 ' C ' HD23 ' A' ' 92' ' ' LEU . 19.3 t -76.6 96.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 11.0 mt -104.61 145.83 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.563 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 32.3 ttp -132.54 142.02 49.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -114.02 150.55 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.39 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -106.12 -174.25 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 53.3 tt0 -95.78 -46.8 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.01 -30.96 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -77.2 -46.79 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.0 ttp -63.34 -36.63 84.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.92 -41.81 95.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 9.0 tp10 -67.83 -47.07 70.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 10' ' ' LYS . 11.5 m95 -54.5 -61.1 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 58' ' ' ILE . 39.4 t -51.89 -46.86 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CE ' ' OE2' ' A' ' 102' ' ' GLU . 11.6 ttpp -43.94 -67.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 28.4 m-85 -55.56 -57.71 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 103' ' ' TRP . 9.6 mt -44.31 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HG2' HD13 ' A' ' 58' ' ' ILE . 3.6 mtt180 -54.89 -53.99 48.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -37.71 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 34' ' ' GLN . 58.0 t -46.42 -47.74 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . -54.1 -36.91 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ARG . . . -121.3 51.06 0.8 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -103.59 155.39 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.75 -168.88 16.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.03 3.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.3 m -143.75 149.39 37.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.941 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.7 p -133.97 -57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.59 157.97 44.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -55.11 170.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.055 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.14 179.79 16.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -135.39 -56.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.68 160.26 22.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.3 173.58 0.88 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.97 6.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 9.2 mt -102.57 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' SD ' ' A' ' 11' ' ' MET . 4.4 tttt -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.501 ' CG ' HG22 ' A' ' 30' ' ' VAL . 3.8 mpp? -147.53 144.69 28.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 162.89 29.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 12.8 m95 -91.87 113.39 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 103' ' ' TRP . 24.1 mt -113.61 172.93 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.52 111.44 22.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -104.36 126.83 51.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 159.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.903 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -93.87 172.77 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' HG12 ' A' ' 21' ' ' VAL . 46.4 m -67.26 97.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mm 72.26 -66.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 18' ' ' ARG . 2.3 p -43.27 129.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 70.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -133.85 139.79 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 85.3 m95 -99.54 133.68 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -113.76 118.58 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.77 97.42 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -114.17 165.4 12.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 2.6 t80 -96.71 106.3 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' HD2' HD11 ' A' ' 36' ' ' LEU . 26.2 m-85 -92.3 140.91 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 11' ' ' MET . 20.4 t -131.08 135.21 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -105.47 107.08 17.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 74.1 ttt180 -127.25 146.07 50.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.66 -143.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.15 39.87 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.2 mt-30 -146.07 138.26 25.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.901 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.9 tm? -100.93 125.23 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.628 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -119.62 163.89 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -158.67 128.76 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -112.33 138.68 48.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 4.4 mttp -48.09 -44.95 32.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.77 -176.8 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -116.01 57.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -142.93 -49.53 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.39 177.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -131.9 6.83 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.64 129.81 23.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 156.84 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -99.54 -57.42 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.03 145.59 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.9 p -124.72 136.37 53.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.73 119.93 31.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.21 105.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 36' ' ' LEU . 53.7 mt -59.72 -43.47 95.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.3 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 3.5 m -135.03 170.81 15.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.502 ' O ' HD12 ' A' ' 76' ' ' ILE . 14.2 m -134.73 106.83 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.513 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -79.01 110.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -111.67 143.18 42.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -91.14 125.54 35.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 4.7 mp -107.15 127.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.2 153.45 23.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -66.76 -9.04 32.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -156.73 153.74 25.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -178.11 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -54.6 147.59 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.53 54.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 71' ' ' PHE . . . -120.73 -59.78 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.7 135.4 19.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.7 m-85 -99.56 86.37 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.8 t -135.38 133.88 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -143.78 155.41 44.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -127.97 139.82 52.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.59 117.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 57' ' ' THR . 2.7 mp -94.94 134.54 24.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 54.95 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.44 73.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.98 77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -148.63 -63.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.81 95.84 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 169.08 156.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -133.45 55.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 mtt -162.66 62.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.53 88.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -125.24 61.73 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -115.4 117.67 31.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.2 p -121.35 -172.45 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -108.46 91.09 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.508 HG12 ' CH2' ' A' ' 24' ' ' TRP . 71.0 t -76.67 99.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.12 144.58 33.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 ttp -130.69 140.29 50.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.62 156.17 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p -81.34 -42.42 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -117.32 156.24 28.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 46.4 tt0 -68.78 -49.78 55.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.44 -30.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.45 -50.68 11.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.6 ttp -61.75 -34.93 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.23 -43.69 90.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.41 -57.71 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.53 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 33.2 m95 -45.61 -61.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.02 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 58' ' ' ILE . 60.2 t -49.95 -51.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -46.74 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 30.6 m-85 -54.13 -52.0 62.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' C ' ' A' ' 103' ' ' TRP . 10.1 mt -52.16 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -50.5 -45.08 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -47.86 -67.8 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 53' ' ' LEU . 88.0 t -54.17 -52.66 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.19 -27.4 8.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -68.95 -74.69 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m -68.77 111.2 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.99 172.61 15.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.73 4.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.18 127.88 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.14 116.24 5.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m 61.82 150.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -135.65 -53.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.7 77.99 1.26 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 71.57 88.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -49.83 123.89 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.32 -171.24 29.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.117 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.1 Cg_endo -75.01 179.13 6.39 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.433 1.754 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 15.9 mt -116.15 -62.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 7.8 tmtm? -128.56 129.64 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.463 ' HG2' HG13 ' A' ' 30' ' ' VAL . 2.3 mtm -129.7 154.56 47.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.53 161.36 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -91.57 112.58 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 17.4 mt -111.01 156.51 21.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 2.9 mtmt -97.22 108.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 47.9 tttp -100.34 128.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 146.23 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -84.01 177.95 8.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.7 m -81.08 134.17 35.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mt 66.86 -80.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.5 p -49.64 145.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.53 68.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.18 141.52 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 91.3 m95 -94.37 127.51 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 107.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -111.66 117.45 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 100.62 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -116.77 160.13 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.12 102.39 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 36' ' ' LEU . 17.8 m-85 -88.74 141.44 28.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG13 ' HG2' ' A' ' 11' ' ' MET . 69.4 t -135.87 139.01 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -105.99 121.87 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 4.4 mtp-105 -142.81 129.16 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.67 -140.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -101.75 30.91 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -138.81 138.61 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.9 tm? -99.78 130.3 45.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.736 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.1 m-85 -122.67 161.91 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -153.54 132.45 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 9.1 m-85 -118.32 168.9 10.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -78.83 -43.89 24.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.05 174.11 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 47.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.39 -53.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.9 154.72 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -113.39 7.37 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.5 tttp -115.96 133.53 22.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 151.91 40.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 15.1 mm100 -92.42 -46.18 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.98 166.7 17.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -149.24 115.9 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -116.76 123.33 46.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -69.81 104.64 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 10.1 mt -57.08 -43.84 99.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.07 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.768 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 132.65 43.42 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 15.5 m -131.57 173.47 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.548 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 m -134.44 103.95 5.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -81.44 102.08 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' CG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.72 146.25 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -99.35 98.96 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.8 mm -73.53 138.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.59 151.52 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 64' ' ' ASN . 91.5 m -86.64 -121.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' H ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -46.34 169.63 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 18.6 Cg_endo -74.95 133.07 16.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 38.94 55.56 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.15 -175.12 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.6 46.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.69 -156.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -170.09 33.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 49.33 59.73 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 93' ' ' MET . 19.8 t -124.02 128.2 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -143.11 136.47 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -110.58 139.05 46.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.4 117.17 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.5 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.3 mt -97.45 123.12 53.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.98 171.07 19.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -71.27 166.43 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m 50.03 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 175.41 71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -134.82 98.42 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 172.97 120.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -91.52 82.8 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 176.33 96.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 50.3 mtp 63.49 86.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 150.3 -126.37 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.03 83.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -120.67 165.41 15.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.409 ' CB ' HG13 ' A' ' 76' ' ' ILE . 12.9 p 179.8 172.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -101.15 91.51 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 71.3 t -75.19 101.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.567 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 31.6 ttp -126.12 129.95 50.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -99.92 158.29 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -56.63 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.8 p -103.75 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 44.6 tt0 -94.96 -36.21 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.77 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.31 -42.63 30.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.589 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 27.7 ttp -70.36 -32.57 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.9 -45.07 71.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.23 -47.56 85.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 26.6 m95 -58.49 -67.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.015 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 58' ' ' ILE . 65.3 t -42.94 -50.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -64.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 12.2 m-85 -54.86 -54.28 44.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.83 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 104' ' ' VAL . 37.2 mtt180 -48.75 -43.5 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -54.26 -56.45 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.561 HG11 HD12 ' A' ' 53' ' ' LEU . 36.2 t -63.96 -51.48 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.11 -22.9 4.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.06 101.03 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 t -142.77 120.25 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.57 171.58 32.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.8 t -157.24 139.28 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 p -138.61 148.78 44.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p -150.37 153.58 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.86 138.8 34.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.22 92.66 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 p -110.87 128.73 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 111.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.24 173.58 17.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -75.02 -166.57 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.5 mt -109.71 -47.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 5.4 tmtm? -146.58 120.72 9.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -113.73 147.3 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.61 158.75 20.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -88.37 129.43 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 103' ' ' TRP . 27.3 mt -129.71 157.7 41.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 108.7 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -100.88 130.9 46.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.35 138.97 47.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH1' ' HG3' ' A' ' 25' ' ' GLN . 40.0 mtt-85 -54.32 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt -133.84 58.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.76 153.41 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 37.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -114.17 167.03 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.657 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 77.1 m95 -127.55 133.75 49.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG3' ' NH1' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -114.44 117.05 29.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -79.44 97.91 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -110.96 176.16 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -101.06 102.69 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.1 m-85 -88.65 143.27 27.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 8' ' ' PRO . 37.3 t -138.27 144.66 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -110.81 125.75 53.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -141.14 128.22 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.01 -141.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -97.17 52.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -158.36 145.84 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.791 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -107.81 129.67 55.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.578 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.5 m-85 -124.65 165.7 17.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -159.57 127.05 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -110.62 162.58 14.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -66.16 -38.45 88.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -155.2 176.71 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 41.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.33 32.67 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.56 -179.2 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.7 p -131.97 -48.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 24.0 tptt -76.25 132.55 73.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.02 153.49 41.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.556 1.819 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.4 -55.39 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 160.57 15.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 117.6 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.89 136.86 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -82.71 106.36 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 36' ' ' LEU . 29.7 mt -61.66 -43.89 89.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 54.46 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.64 43.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.28 161.69 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.542 HG22 ' HD3' ' A' ' 59' ' ' LYS . 1.9 m -121.98 116.13 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.56 108.55 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 76' ' ' ILE . 2.8 mtpm? -117.7 143.94 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -88.94 86.1 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.7 mm -68.32 150.48 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.18 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 63' ' ' THR . 2.0 m -76.2 55.66 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 63' ' ' THR . 1.7 m-20 160.85 168.23 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.4 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.48 76.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -145.52 -172.46 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -176.76 144.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.81 -62.29 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -46.19 132.7 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 16.9 m-85 -77.9 84.47 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.535 HG22 ' SD ' ' A' ' 93' ' ' MET . 96.4 t -131.64 134.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -145.66 137.59 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -117.1 145.28 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 92' ' ' LEU . 1.7 mt -107.71 131.27 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.565 HD11 ' NZ ' ' A' ' 59' ' ' LYS . 2.7 mp -111.03 129.73 23.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 18.2 Cg_endo -75.01 94.49 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' SER . . . 36.61 78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER 39.71 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.526 ' CE2' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.54 -165.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 108.001 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -160.92 169.99 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.51 171.73 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 64.29 57.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' C ' ' CG ' ' A' ' 85' ' ' MET . 0.0 OUTLIER 62.92 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.424 ' CG ' ' C ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 35.13 62.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.13 156.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -179.53 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.517 ' HB3' ' CD1' ' A' ' 80' ' ' TRP . 12.1 t0 -41.37 155.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.426 ' CB ' HG13 ' A' ' 76' ' ' ILE . 13.5 p 172.78 165.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 m-30 -85.83 90.79 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 99.3 t -76.41 100.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.525 HD12 HD11 ' A' ' 75' ' ' ILE . 14.7 mt -109.19 141.93 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.535 ' SD ' HG22 ' A' ' 72' ' ' VAL . 21.1 ttp -132.2 139.98 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.61 162.35 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -80.94 -48.71 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -114.73 169.26 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 57.1 tt0 -75.98 -47.0 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.09 -28.92 11.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.59 -50.66 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.597 ' SD ' HG21 ' A' ' 104' ' ' VAL . 16.0 tmm? -61.29 -38.92 88.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.47 -41.27 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -63.93 -55.96 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.674 ' CD1' HD11 ' A' ' 14' ' ' LEU . 30.7 m95 -54.48 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.1 t -42.81 -50.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -47.39 -64.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 28.8 m-85 -54.14 -49.98 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.13 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLY . 5.8 mtt-85 -50.11 -43.78 51.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 53' ' ' LEU . 76.1 t -50.53 -53.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.34 -31.81 23.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -98.87 -95.47 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 162.35 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.33 -170.28 40.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.4 t -160.8 97.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.8 m -89.35 135.81 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.118 . . . . 0.0 111.026 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m 57.29 78.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m -129.32 159.18 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.62 169.37 26.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -142.49 -56.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.97 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -161.11 161.82 31.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.06 31.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -74.99 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.85 -39.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE2' ' CG ' ' A' ' 102' ' ' GLU . 2.5 tttp -142.7 139.4 31.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.461 ' HG3' HG13 ' A' ' 30' ' ' VAL . 3.7 mpp? -145.4 152.08 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.88 169.94 35.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -92.93 111.3 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 11.1 mt -112.72 151.53 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.65 113.45 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 19.5 tttm -104.06 125.89 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.17 122.39 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -53.57 169.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -45.28 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 mt -134.14 55.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -121.37 5.77 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 45.74 56.18 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' HB2' HG23 ' A' ' 21' ' ' VAL . 44.8 t30 -143.85 171.9 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 86.7 m95 -118.91 129.65 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -112.66 115.11 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.83 101.92 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 163.02 15.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.21 100.1 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.702 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.7 m-85 -85.52 144.61 27.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 11' ' ' MET . 78.6 t -137.45 131.83 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.33 108.02 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 1.9 ttt180 -120.47 128.68 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.64 -143.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -90.13 57.35 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.4 151.43 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.1 tm? -116.96 128.27 55.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.8 m-85 -124.02 172.83 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -158.66 136.16 10.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LYS . 56.0 m-85 -118.79 144.49 46.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' TYR . 18.3 mttm -39.14 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -89.44 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -174.94 38.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -124.5 -46.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.75 118.25 5.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' THR . 10.5 t -87.09 43.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -150.1 131.43 7.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 29.8 mm-40 -66.34 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.65 168.17 13.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 p -150.48 126.01 10.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 121.87 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.98 105.79 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -56.45 -43.93 99.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 81.48 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 128.54 41.31 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 10.3 m -130.68 170.08 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.658 HG22 ' HD2' ' A' ' 59' ' ' LYS . 38.6 m -131.95 111.31 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.38 118.85 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HD2' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -126.08 148.92 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -93.64 80.19 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.0 mm -67.98 133.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.25 147.45 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 m -72.56 -3.82 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.6 OUTLIER -160.46 168.22 12.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -23.72 13.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -148.23 75.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -145.29 -174.72 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.5 121.87 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.8 112.76 0.37 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -95.64 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 3.0 m-85 40.57 52.14 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 70' ' ' LYS . 57.3 t -114.92 129.29 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -147.98 141.06 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.83 ' OE2' HD11 ' A' ' 76' ' ' ILE . 1.2 pm0 -113.39 148.42 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.414 HD11 HD12 ' A' ' 92' ' ' LEU . 2.9 mt -114.13 128.47 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.83 HD11 ' OE2' ' A' ' 74' ' ' GLU . 2.7 mp -108.88 130.64 22.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -75.03 160.04 40.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -52.67 -33.77 48.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.02 118.61 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 76' ' ' ILE . 3.1 t90 -124.27 -67.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 107.95 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 59.05 -177.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.51 70.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -179.09 82.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 41.27 49.08 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.91 106.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . 91.12 -116.62 4.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.483 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 5.2 pt20 33.97 46.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -145.11 81.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -71.55 -166.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.89 91.64 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.9 t -74.02 96.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.453 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.3 mt -104.66 143.36 33.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.598 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.3 ttm -134.27 130.96 37.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -99.19 161.39 13.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 33.39 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 175.16 150.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 1.4 tt0 -66.62 -44.07 83.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.71 -28.04 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.35 -45.55 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.0 tmm? -70.41 -42.86 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.89 -42.72 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 9.6 tp10 -61.96 -67.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 45.4 m95 -44.15 -60.17 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.0 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.2 -58.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -40.07 -62.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -58.56 -48.62 80.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.5 mt -53.57 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.79 49.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -55.44 -63.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 53' ' ' LEU . 74.3 t -55.79 -49.06 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.68 -29.65 53.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.26 -89.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.3 t -143.15 135.91 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -111.42 -178.0 20.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.19 4.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.93 167.72 29.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -151.29 83.19 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.08 88.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.34 103.52 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.12 176.69 21.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -60.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.6 p -177.77 137.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.69 -170.58 21.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 Cg_endo -75.01 -169.2 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.659 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 5.9 mt -115.94 -45.64 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 4.5 tttp -135.43 124.81 24.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.71 123.19 38.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.69 -178.86 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 41' ' ' ASP . 14.2 m95 -107.46 134.89 49.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.5 mt -133.8 167.07 21.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -104.59 115.11 29.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -104.82 122.27 45.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.652 ' NE2' ' CE2' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -53.76 136.51 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.621 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -64.98 164.32 12.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.1 -82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mt -139.98 64.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG22 ' CB ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -136.18 12.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt 41.52 58.02 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.537 ' HB2' HG23 ' A' ' 21' ' ' VAL . 21.1 t30 -142.77 171.16 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.652 ' CE2' ' NE2' ' A' ' 17' ' ' GLN . 79.0 m95 -121.33 133.44 55.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -117.07 117.42 29.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -68.89 103.92 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -119.67 165.21 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD2' ' NE1' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -92.4 115.0 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 11.3 m-85 -104.22 128.61 51.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.25 145.87 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -111.55 111.72 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -122.8 131.5 53.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.04 -141.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -91.67 52.99 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.3 mt-30 -160.02 143.58 14.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.68 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -107.32 119.39 39.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.8 m-85 -115.86 168.24 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -158.46 129.08 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 87.2 m-85 -112.03 164.9 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -57.48 -78.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -109.11 -157.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -84.37 44.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' THR . 2.1 tt0 -123.77 48.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 10.8 p-10 -39.25 98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' GLU . 12.7 t -133.21 -44.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -134.34 122.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.543 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 22.2 mm-40 -43.56 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.07 163.65 12.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.435 1.084 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.5 p -145.04 121.26 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 127.38 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -72.91 106.86 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 18.2 mt -59.59 -43.32 95.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.05 60.75 5.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.57 44.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER -131.56 171.83 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -132.26 110.48 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.438 HD13 ' HD2' ' A' ' 108' ' ' ARG . 2.5 mp -87.14 102.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mtmt -102.51 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.99 107.51 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 15.0 mm -79.23 92.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.05 153.63 23.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 64' ' ' ASN . 60.0 m -89.53 175.96 7.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.572 ' H ' HG22 ' A' ' 63' ' ' THR . 1.3 t30 -40.62 159.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.17 8.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.23 35.9 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 -178.39 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.82 134.56 33.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.38 120.32 6.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 122.9 43.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.756 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.7 m-85 -82.43 95.52 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.3 t -138.14 132.99 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.26 135.37 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.2 pt-20 -112.94 142.9 45.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.17 128.95 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 mt -112.11 123.48 34.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.01 153.46 41.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.91 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.3 p -57.26 97.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLN . 7.2 t90 -133.86 -50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.964 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.23 80.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' TRP . 16.9 mm-40 -140.64 -58.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 69.27 23.05 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.62 16.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 ptm -151.33 173.94 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.16 110.95 0.75 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -112.18 55.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 105.49 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' HG13 ' A' ' 76' ' ' ILE . 18.8 p -62.06 171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -90.63 90.54 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG12 ' CH2' ' A' ' 24' ' ' TRP . 58.5 t -74.83 100.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -107.76 147.4 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.628 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 30.4 ttp -136.94 139.83 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.21 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.26 32.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -174.24 151.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 5.7 tt0 -73.08 -44.29 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.58 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -44.38 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.418 ' C ' ' SD ' ' A' ' 100' ' ' MET . 12.4 tmm? -73.05 -39.18 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.41 -43.99 95.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 3.1 tp10 -63.97 -55.13 24.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.63 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.3 m95 -54.75 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 107.956 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.8 t -53.86 -50.08 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.2 -61.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.659 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 40.0 m-85 -63.39 -53.0 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.1 -58.92 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -60.36 -55.23 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -39.52 -68.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 53' ' ' LEU . 60.8 t -48.35 -54.3 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.59 -38.65 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -91.2 42.34 2.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.13 146.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.04 -166.3 12.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.15 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.9 m -48.42 175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.6 m -138.45 91.75 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -138.06 134.02 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -137.17 -56.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.48 66.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -153.88 153.02 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.59 -51.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.04 173.94 49.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.57 14.29 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.645 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.8 mt -98.26 -58.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 3.1 tmtm? -124.65 137.88 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -144.97 138.87 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.11 172.12 45.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.3 m95 -95.3 129.05 42.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.4 mt -128.17 168.07 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.13 104.04 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -94.27 128.35 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -48.71 142.14 6.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -153.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 21' ' ' VAL . 95.0 p -140.02 100.4 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm 72.07 18.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' ASN . 4.1 t -122.45 -2.04 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.53 28.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 21' ' ' VAL . 59.6 t30 -112.24 169.94 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 75.5 m95 -112.03 140.95 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -119.35 117.36 28.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.28 99.11 4.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.0 176.04 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.4 t80 -104.78 111.35 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.8 m-85 -98.24 136.94 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.28 138.32 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -109.01 107.36 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -127.17 130.44 49.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.72 -141.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.53 52.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.3 mt-30 -159.13 136.89 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 tm? -99.83 127.59 45.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 30.0 m-85 -122.56 165.17 16.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 126.32 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 7.8 m-85 -114.17 173.15 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -74.4 -41.17 61.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -150.58 172.74 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.84 43.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.34 -64.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.21 170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 t -131.16 26.73 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.88 126.79 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.76 28.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -84.98 -47.36 10.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 160.84 24.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.64 128.09 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.64 119.1 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -65.24 103.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 9.8 mt -58.22 -43.94 98.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 60.09 5.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.36 44.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.4 m -131.95 173.9 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -134.17 112.5 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.47 111.89 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 7.0 mtmt -117.69 144.94 44.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.76 112.08 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.845 HD11 ' OE2' ' A' ' 74' ' ' GLU . 19.2 mm -76.75 122.47 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.09 153.17 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.45 HG22 ' H ' ' A' ' 64' ' ' ASN . 30.1 m -88.91 -126.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.45 ' H ' HG22 ' A' ' 63' ' ' THR . 0.5 OUTLIER -54.71 168.53 0.48 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.95 3.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -124.93 62.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.79 178.42 4.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.24 51.9 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.89 -176.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.89 157.67 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 14.1 m-85 -98.22 67.21 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 93' ' ' MET . 78.3 t -128.36 144.21 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 16.8 p90 -158.71 143.18 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.845 ' OE2' HD11 ' A' ' 61' ' ' ILE . 5.6 pm0 -116.85 149.24 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.29 121.13 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.83 128.27 26.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 18.2 Cg_endo -75.04 155.47 42.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.42 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.99 144.67 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 77' ' ' PRO . 9.6 t-105 -161.59 -53.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' TRP . 5.4 t0 -40.31 130.56 2.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 71.5 84.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.61 156.09 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 5.16 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -129.41 39.05 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.56 128.54 4.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -124.97 50.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' N ' ' HE1' ' A' ' 80' ' ' TRP . 5.4 m-20 -144.13 119.79 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.2 p -56.76 -163.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -99.38 91.26 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.404 HG12 ' CH2' ' A' ' 24' ' ' TRP . 92.2 t -81.27 99.26 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' PHE . 14.1 mt -105.98 144.25 32.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 72' ' ' VAL . 5.1 ttm -130.63 135.54 47.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.73 150.33 24.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.5 m -117.57 165.15 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 61.2 tt0 -71.93 -53.41 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.97 -26.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.54 -48.65 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.613 ' SD ' HG21 ' A' ' 104' ' ' VAL . 19.1 tmm? -65.22 -41.89 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.24 -50.3 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.51 -49.91 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.0 m95 -57.27 -71.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 108.024 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.613 HG21 ' SD ' ' A' ' 100' ' ' MET . 54.5 t -40.49 -55.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -63.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-85 -57.32 -56.2 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.7 mt -46.2 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.36 -45.54 65.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -52.34 -66.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 53' ' ' LEU . 54.0 t -51.73 -52.68 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -54.99 -24.41 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.83 -56.21 17.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.83 96.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 174.57 -173.83 46.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.73 42.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.5 p -160.3 94.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.3 t -51.33 113.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.9 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' HB3' ' A' ' 102' ' ' GLU . 3.9 tttt -133.96 135.72 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -142.84 145.19 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.94 162.29 27.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -84.29 112.09 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.5 mt -113.03 157.21 21.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 116.12 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 30.3 tttm -106.52 128.92 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.727 ' NE2' HG11 ' A' ' 91' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 84.9 m95 -120.83 140.64 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.66 106.69 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -73.35 100.58 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -118.74 163.48 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -88.97 103.94 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 14.3 m-85 -88.82 142.08 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -135.98 143.01 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -110.27 108.88 19.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -123.11 124.32 42.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.6 -142.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.5 56.28 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mt-30 -162.95 139.0 7.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.8 tm? -102.85 127.64 49.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 36' ' ' LEU . 29.3 m-85 -123.14 167.8 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 127.5 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.4 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.05 150.97 17.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.3 p -136.97 119.49 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -115.31 123.79 49.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -70.91 106.95 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 36' ' ' LEU . 23.7 mt -59.05 -43.33 97.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 55.77 4.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.04 43.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.81 170.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.426 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -134.31 106.19 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.498 HG21 HG13 ' A' ' 104' ' ' VAL . 2.7 mp -84.13 112.11 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.7 mtmt -116.82 129.01 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.13 110.38 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 2.5 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.563 0.221 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.57 137.89 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -154.26 135.25 13.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.1 pt-20 -112.02 145.08 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -103.4 127.87 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -107.01 120.96 46.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.435 ' CB ' HG13 ' A' ' 76' ' ' ILE . 66.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -103.91 91.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.727 HG11 ' NE2' ' A' ' 17' ' ' GLN . 61.2 t -71.84 103.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.74 145.38 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -139.76 134.75 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -105.57 153.22 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -68.49 -55.29 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -105.68 161.14 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 41.1 tt0 -70.43 -57.72 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -40.76 -29.78 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 3.8 tt0 -77.64 -49.26 14.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.546 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 30.2 ttp -63.99 -35.82 81.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.04 -45.57 91.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.1 -58.57 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.7 ' CD1' HD11 ' A' ' 14' ' ' LEU . 18.0 m95 -46.04 -62.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 58' ' ' ILE . 54.6 t -50.72 -53.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.86 -63.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 20.6 m-85 -56.61 -54.66 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 HD23 ' A' ' 36' ' ' LEU . 12.4 mt -48.28 -62.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -43.88 77.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -71.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.5 t -48.07 -48.93 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.7 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.4 126.56 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.14 142.42 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.87 166.64 35.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.463 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.9 m95 -100.04 121.8 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 103' ' ' TRP . 14.3 mt -122.26 152.76 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -87.29 113.34 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -102.19 131.31 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.35 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 82.1 m95 -126.59 122.58 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.27 120.51 42.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 99.13 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 168.38 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.463 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.4 t80 -107.23 108.38 19.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 92' ' ' LEU . 39.4 m-85 -100.34 136.67 39.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -130.65 135.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.531 HD11 HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 ttt180 -132.43 134.7 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 47.13 -144.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.88 29.68 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 16.0 mt-30 -135.5 142.02 45.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.5 tm? -106.66 124.66 49.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -118.0 161.93 18.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.2 126.21 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.98 172.18 23.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.33 136.45 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 124.11 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -74.72 107.6 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.962 HD21 ' HB2' ' A' ' 36' ' ' LEU . 27.8 mt -57.07 -43.3 99.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.05 91.15 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.91 3.69 8.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -93.15 172.95 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 m -134.3 100.57 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 108' ' ' ARG . 2.0 mp -81.19 115.27 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 14.5 mtmt -121.27 147.89 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.17 98.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.579 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.6 mm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 10.0 m-30 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.539 0.209 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.602 HG13 ' HB2' ' A' ' 93' ' ' MET . 2.6 t -126.41 126.12 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -141.14 140.35 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.4 pt-20 -114.85 151.06 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.79 HG22 ' SG ' ' A' ' 56' ' ' CYS . 5.1 mt -107.2 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -92.82 117.01 67.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.063 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 2.4 m-30 -100.64 91.13 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 101.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 18.0 mt -111.64 146.6 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.602 ' HB2' HG13 ' A' ' 72' ' ' VAL . 1.6 tmm? -140.61 132.02 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -99.43 -179.64 4.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -93.77 -47.56 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -116.52 173.06 6.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 16.3 tt0 -77.09 -44.43 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.43 -28.54 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -76.12 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.45 ' SD ' HG21 ' A' ' 104' ' ' VAL . 12.7 tmm? -57.3 -36.93 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.2 -41.38 98.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.54 -62.42 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.798 ' CD1' HD11 ' A' ' 14' ' ' LEU . 24.2 m95 -46.54 -59.29 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 ' SD ' ' A' ' 100' ' ' MET . 29.6 t -51.84 -51.12 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.7 ttpt -46.55 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 31' ' ' LEU . 36.9 mt -53.68 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HG2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -56.63 -51.22 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 5.5 ttm-85 -39.09 -58.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 53' ' ' LEU . 84.5 t -62.69 -43.59 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG22 ' CE1' ' A' ' 106' ' ' PHE . 3.3 mt . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 4.1 tmtm? -139.17 133.22 31.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -138.14 150.68 47.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.25 163.27 26.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -88.25 120.36 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 103' ' ' TRP . 8.9 mt -119.53 150.9 39.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 1.1 mtmt -91.67 100.26 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.01 127.55 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 3.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 93.4 m95 -116.9 122.93 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.25 112.86 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.57 97.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -113.2 167.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -97.61 116.65 30.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.0 m-85 -104.09 135.62 45.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.22 135.74 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.85 109.2 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.95 116.8 24.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.64 -143.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -91.74 49.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -155.92 145.53 21.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.701 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.0 tm? -107.43 125.01 50.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' N ' HD13 ' A' ' 36' ' ' LEU . 86.0 m-85 -115.28 164.64 13.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.4 p90 -159.15 126.22 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 9.9 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.38 160.27 25.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.1 p -136.03 133.51 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.87 124.25 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.76 107.77 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.653 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.5 mt -63.45 -43.31 78.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 88.23 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.73 -21.9 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -67.44 156.37 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.7 m -118.88 116.24 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.69 106.41 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 7.3 mtmt -110.89 130.6 55.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -86.17 111.01 19.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.4 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.2 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.477 0.179 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.482 HG22 ' HG3' ' A' ' 93' ' ' MET . 21.5 t -134.26 129.88 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 100' ' ' MET . 18.5 p90 -142.68 133.69 25.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 1.8 pt-20 -111.53 146.4 37.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.66 135.16 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 mp -114.79 129.87 24.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.155 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -95.02 91.07 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.434 ' C ' HD23 ' A' ' 92' ' ' LEU . 59.8 t -77.66 102.01 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 91' ' ' VAL . 13.7 mt -110.96 135.87 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.543 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.8 ttm -124.36 132.53 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -101.85 157.43 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -50.01 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 97' ' ' GLN . 1.5 t -111.7 174.35 5.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 48.3 tt0 -81.28 -48.04 12.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.97 -23.85 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.03 -54.5 5.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.5 ttp -58.79 -33.9 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.01 -47.74 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.46 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 tp10 -56.55 -60.19 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 28.9 m95 -50.3 -58.62 5.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 100' ' ' MET . 31.9 t -48.33 -55.93 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.5 ttpp -40.45 -58.31 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 38.0 m-85 -62.96 -55.36 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -49.06 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.0 ttt180 -46.81 -60.77 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.52 -50.72 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' C ' ' HE2' ' A' ' 11' ' ' MET . 5.8 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.2 117.31 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.72 149.4 42.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.59 159.52 20.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -93.53 105.34 17.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.3 mt -105.94 147.85 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -83.94 118.09 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -109.8 129.38 55.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.6 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 79.1 m95 -129.79 112.08 13.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.92 118.2 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.61 101.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -108.7 149.01 29.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.25 98.04 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.772 ' HD2' HD11 ' A' ' 36' ' ' LEU . 30.3 m-85 -88.58 138.61 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.41 129.25 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 106' ' ' PHE . 0.4 OUTLIER -96.86 104.34 16.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 8.5 mtp85 -123.55 143.89 49.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.89 -144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.13 49.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.8 mt-30 -158.19 142.05 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -102.58 122.82 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 32' ' ' ARG . 11.9 m-85 -117.05 165.65 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p90 -159.89 126.52 4.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 19.7 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 18.4 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -149.33 165.22 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 p -148.31 122.47 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.34 125.36 53.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.92 107.67 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -61.73 -43.01 86.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.04 55.34 3.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.98 44.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -134.42 172.41 12.94 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 59' ' ' LYS . 17.8 m -134.32 112.62 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -88.65 110.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.9 mtmt -117.63 144.56 45.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.18 102.4 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.508 0.194 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.576 HG22 ' SD ' ' A' ' 93' ' ' MET . 58.4 t -143.13 137.4 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -150.36 138.19 20.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.6 pt-20 -110.76 153.45 25.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 92' ' ' LEU . 10.2 mt -111.7 121.28 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' A' ' 77' ' ' PRO . 2.5 mp -104.85 139.0 19.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 76' ' ' ILE . 60.3 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -96.55 90.93 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.93 103.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 75' ' ' ILE . 16.6 mt -111.94 151.46 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.577 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 27.2 ttp -140.54 144.85 36.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 155.53 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -60.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.9 p -97.12 -178.11 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 42.7 tt0 -90.79 -40.28 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.63 -24.8 66.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.64 -39.71 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.552 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.2 ttp -73.27 -37.38 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.12 -37.81 88.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.49 -60.75 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.805 ' CD1' HD11 ' A' ' 14' ' ' LEU . 29.9 m95 -47.17 -56.14 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.499 HG13 HG21 ' A' ' 58' ' ' ILE . 46.8 t -54.25 -48.53 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -63.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 31' ' ' LEU . 20.8 m-85 -55.3 -46.77 76.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.92 -69.69 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -42.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -51.3 -59.01 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.571 HG11 HD12 ' A' ' 53' ' ' LEU . 40.3 t -59.01 -51.72 69.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 10.5 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HE2' ' CD2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -141.4 129.07 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.484 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -132.77 125.74 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . -167.93 -159.48 13.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.51 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 17.1 m95 -119.8 145.83 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 103' ' ' TRP . 19.0 mt -147.08 159.53 43.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -98.38 118.49 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 16.7 tttm -114.39 136.17 53.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.2 m95 -100.93 133.0 46.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.8 113.84 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.42 103.87 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.72 159.93 31.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -78.61 126.36 30.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 6.9 m-85 -117.22 118.9 33.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 11' ' ' MET . 41.9 t -118.04 149.4 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -116.7 118.29 32.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.437 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 ttt180 -127.14 131.45 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.44 -140.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -91.7 55.03 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.5 mt-30 -160.17 149.3 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.4 tm? -114.22 124.35 51.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.585 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.4 m-85 -120.19 165.6 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -156.13 131.4 9.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.99 167.34 13.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.2 p -149.22 128.17 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.94 126.47 45.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER -74.98 107.84 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.0 mt -59.32 -43.37 96.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 57.88 4.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.14 44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 17.7 m -136.64 172.35 13.14 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.3 m -134.44 113.43 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.454 HG21 HG13 ' A' ' 104' ' ' VAL . 2.5 mp -85.68 111.3 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -118.42 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.77 108.22 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.0 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.539 0.209 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.91 143.79 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -161.0 132.87 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.2 pt-20 -107.18 152.16 24.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mt -110.48 121.32 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -101.88 125.46 36.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.224 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.446 ' CB ' HG13 ' A' ' 76' ' ' ILE . 59.9 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.36 91.0 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.1 t -72.04 101.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 mt -109.4 149.13 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -143.19 135.21 26.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -104.88 152.77 22.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -50.14 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 51.8 tt0 -95.78 -52.39 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.94 -26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -49.14 19.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.525 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.7 ttp -64.38 -35.98 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.4 -42.2 88.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.11 -50.99 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.3 m95 -56.77 -50.87 70.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' MET . 46.7 t -60.26 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 10.5 m-85 -49.16 -53.46 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 103' ' ' TRP . 15.9 mt -51.66 -66.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -51.88 -38.19 55.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -54.79 42.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 53' ' ' LEU . 77.1 t -66.17 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.512 HG22 ' CE1' ' A' ' 106' ' ' PHE . 4.0 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -125.71 126.23 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 135.37 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.43 170.27 42.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.0 142.35 28.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 103' ' ' TRP . 31.9 mt -140.72 156.04 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -94.94 116.87 29.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -108.52 130.9 55.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 77.3 m95 -101.17 129.97 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -112.61 115.93 29.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.31 115.49 11.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -129.54 173.8 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -102.73 103.79 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.741 ' HD2' HD11 ' A' ' 36' ' ' LEU . 15.3 m-85 -92.44 132.99 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 t -127.37 136.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -102.51 113.81 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -128.16 136.35 51.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.06 -141.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.19 53.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -161.61 140.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -101.68 126.97 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.6 m-85 -121.15 168.43 11.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.3 p90 -159.62 126.05 4.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 20.4 m-85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.5 169.02 16.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.435 1.085 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.4 p -149.16 120.25 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.04 118.43 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -64.57 106.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.1 mt -59.9 -43.5 94.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.04 56.18 4.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.55 43.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -133.08 170.59 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -134.25 107.07 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 102.83 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 12.0 mtmt -100.25 124.93 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.56 101.02 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.6 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.527 0.203 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ILE . 6.5 t -139.94 133.63 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -144.34 133.63 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.5 pt-20 -110.02 139.03 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -95.34 123.6 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 mt -105.13 122.74 42.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.464 ' CB ' HG13 ' A' ' 76' ' ' ILE . 11.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -92.96 91.52 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.445 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 91.0 t -73.67 103.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.5 mt -112.07 140.89 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.578 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 36.6 ttp -133.62 138.78 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.86 173.81 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -53.21 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -113.12 155.92 24.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 61.6 tt0 -62.34 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.71 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.89 -52.93 9.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.88 -35.09 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.63 -45.64 82.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.6 tp10 -59.23 -59.72 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.634 ' CD1' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -48.42 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' ARG . 50.6 t -44.27 -56.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -60.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 9' ' ' ILE . 25.8 m-85 -60.94 -53.49 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.51 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' VAL . 11.0 mtt180 -49.34 -47.39 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -49.16 -69.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 53' ' ' LEU . 55.8 t -48.38 -49.93 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 5.2 tttp -123.2 127.52 48.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.712 ' HG2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.96 129.86 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.61 170.82 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 8.7 m95 -94.14 126.78 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.6 mt -127.59 145.57 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -84.43 104.36 14.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -96.16 125.93 41.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CB ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 88.9 m95 -103.18 107.29 18.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.049 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' NE2' HH12 ' A' ' 27' ' ' ARG . 7.9 mm-40 -98.92 110.0 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.03 97.9 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.408 HH12 ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -106.27 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -108.73 105.0 14.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.76 147.13 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.712 HG22 ' HG2' ' A' ' 11' ' ' MET . 3.3 t -140.38 132.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.851 HD21 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.65 142.83 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -132.3 -153.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.86 117.92 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' ALA . 42.5 mt-30 36.28 44.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.347 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 3.0 mt-30 -165.25 153.31 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.965 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.8 tm? -130.1 137.22 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.784 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.1 m-85 -130.35 165.56 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -157.9 128.51 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.29 166.16 25.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.2 p -142.5 126.73 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.67 133.97 49.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.16 106.46 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 36' ' ' LEU . 15.9 mt -56.63 -44.1 99.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.08 0.45 8.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -87.09 178.4 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.572 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 m -134.77 99.81 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.78 110.21 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' HG22 ' A' ' 57' ' ' THR . 18.1 mtmt -118.68 139.12 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.39 102.99 15.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.4 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.2 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.471 0.177 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.36 127.55 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 11.4 p90 -144.5 131.08 19.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.9 pt-20 -107.39 151.37 25.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' SG ' ' A' ' 56' ' ' CYS . 7.0 mt -109.73 119.3 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.448 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -103.8 115.49 63.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.448 ' CB ' HG13 ' A' ' 76' ' ' ILE . 39.8 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -103.72 91.19 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.433 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 64.5 t -72.28 102.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 75' ' ' ILE . 17.5 mt -112.26 137.89 49.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.561 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -131.1 134.98 47.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.24 140.67 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -58.91 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 p -98.98 171.72 7.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.6 tt0 -81.53 -51.81 7.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.19 -28.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.17 -47.55 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.9 ttp -66.01 -33.64 76.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.58 -48.16 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 7.6 tp10 -58.46 -51.91 67.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 14' ' ' LEU . 34.6 m95 -56.44 -63.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 t -46.32 -45.13 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.79 -63.13 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.435 ' HB3' HD13 ' A' ' 31' ' ' LEU . 15.8 m-85 -56.59 -42.62 78.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.05 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -39.73 57.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.1 ttt85 -55.06 -58.64 6.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.93 -40.64 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.2 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 7.9 tttp -124.24 134.63 53.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.439 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 mtm -133.75 122.51 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.66 166.48 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -84.87 128.84 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' CD1' ' A' ' 103' ' ' TRP . 19.7 mt -130.53 150.73 51.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 2.9 mtmt -86.07 138.09 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -136.33 116.59 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.518 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.639 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 59.6 m95 -107.03 140.81 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -117.28 109.88 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 100.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.09 159.56 25.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -75.5 136.26 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 36' ' ' LEU . 14.8 m-85 -131.23 118.91 21.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 11' ' ' MET . 22.1 t -118.13 159.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -122.6 137.87 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -137.47 128.52 27.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.23 -102.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -126.41 62.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 20.1 mt-30 -162.29 148.24 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 29' ' ' PHE . 2.5 tm? -111.55 117.31 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 27.9 m-85 -117.01 161.76 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -151.93 132.06 13.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.56 31.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.22 125.86 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -76.27 106.97 8.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.652 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 6.9 mt -58.68 -43.56 98.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 55.53 4.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.78 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.7 170.72 14.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -130.7 107.59 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.31 109.22 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 57' ' ' THR . 3.1 mtmt -118.21 127.74 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.65 105.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.42 HD11 ' CD ' ' A' ' 74' ' ' GLU . 32.6 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.482 0.182 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG22 ' SD ' ' A' ' 93' ' ' MET . 34.1 t -137.34 144.14 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -163.57 140.13 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CD ' HD11 ' A' ' 61' ' ' ILE . 5.1 pt-20 -115.12 144.46 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 92' ' ' LEU . 3.5 mt -103.65 129.49 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.495 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.0 mp -109.29 122.7 38.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.428 ' CB ' HG13 ' A' ' 76' ' ' ILE . 74.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -109.21 91.25 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.639 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.8 t -70.92 99.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 75' ' ' ILE . 15.2 mt -109.25 149.22 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.508 ' HE1' ' CE2' ' A' ' 24' ' ' TRP . 18.0 ttp -140.51 143.3 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 146.38 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.3 m -95.77 38.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 179.83 139.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 40.0 tt0 -63.03 -48.36 79.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.75 68.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.03 -52.73 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.5 ttp -61.85 -34.09 75.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.98 -50.38 49.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HG2' ' CE ' ' A' ' 10' ' ' LYS . 1.4 tp10 -55.3 -51.11 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.668 ' CD1' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -57.26 -68.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -43.96 -45.72 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -60.28 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -60.65 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.46 -67.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -44.78 56.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -55.17 -70.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.5 t -47.51 -51.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -128.81 136.52 50.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.9 143.14 50.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.82 165.53 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -97.88 123.98 42.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 103' ' ' TRP . 64.8 mt -124.41 145.92 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -89.75 112.19 23.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -96.29 142.28 28.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.677 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 95.3 m95 -88.91 140.61 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 11.4 tp60 -122.91 113.09 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.5 105.4 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -121.45 167.69 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -100.6 105.55 16.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.744 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -95.51 135.64 36.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.48 145.88 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -109.88 130.18 55.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -150.57 143.49 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 43.0 -139.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HA ' HG11 ' A' ' 110' ' ' VAL . 23.5 mt-30 -103.8 44.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -152.27 141.8 21.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 tm? -99.79 129.03 45.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' HD13 ' A' ' 36' ' ' LEU . 11.1 m-85 -122.51 162.86 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -159.93 132.26 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.3 m-85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 2.7 mm-40 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.06 171.55 19.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.1 p -150.61 127.5 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.18 145.29 47.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -91.37 106.94 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.8 mt -63.93 -44.13 77.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 65.65 6.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.63 42.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -127.56 160.29 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 111.74 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 104' ' ' VAL . 1.4 mp -85.56 99.09 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mttt -92.72 132.08 37.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -95.06 84.81 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.629 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.3 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.48 0.181 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.6 t -137.73 122.01 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 p90 -138.06 141.08 40.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' ' 76' ' ' ILE . 3.6 pt-20 -114.28 132.52 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 mt -90.6 125.69 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 59' ' ' LYS . 4.0 mt -108.75 122.04 41.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.496 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 32.5 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -99.6 90.73 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' C ' HD23 ' A' ' 92' ' ' LEU . 62.0 t -74.37 99.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.3 mt -109.78 138.16 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.677 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 29.2 ttp -126.73 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -106.53 138.89 41.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 p -60.77 -49.71 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -109.26 -176.01 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 44.4 tt0 -92.9 -51.97 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.91 -25.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -53.85 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 34.5 ttp -56.62 -38.14 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.4 -55.08 35.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 1.8 tp10 -56.83 -41.02 77.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 14' ' ' LEU . 9.7 m95 -62.63 -64.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 58' ' ' ILE . 77.6 t -51.65 -46.24 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -64.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 22.3 m-85 -60.06 -55.95 27.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 mt -42.6 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -50.87 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -71.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 53' ' ' LEU . 49.6 t -50.0 -53.0 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 20.5 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 2.2 tmtm? -126.08 126.43 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 146.38 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . 176.21 -153.55 14.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -123.01 156.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 6.7 mt -155.55 139.64 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -81.34 109.52 15.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -101.62 124.32 47.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.72 ' CH2' HG12 ' A' ' 91' ' ' VAL . 59.0 m95 -87.46 134.54 33.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HG2' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -118.12 119.05 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 109.54 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 25' ' ' GLN . 8.8 mmt-85 -124.29 177.29 5.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -99.89 133.4 44.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m-85 -125.86 132.57 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.11 143.19 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.54 113.1 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -93.9 -73.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.36 129.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 42.15 30.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.1 mt-30 -164.23 136.4 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.801 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.7 tm? -109.9 123.06 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.496 ' N ' HD13 ' A' ' 36' ' ' LEU . 46.8 m-85 -117.16 158.71 23.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -156.08 129.74 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.09 21.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.8 p -150.47 118.2 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.11 123.32 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 108.8 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.6 mt -59.37 -43.22 96.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 57.41 4.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.3 43.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 2.9 m -136.37 170.28 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.486 HG22 ' CD ' ' A' ' 59' ' ' LYS . 5.1 m -130.6 110.88 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -89.96 102.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.486 ' CD ' HG22 ' A' ' 57' ' ' THR . 23.8 mtpt -107.81 148.92 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -94.47 124.6 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.006 HD11 ' OE2' ' A' ' 74' ' ' GLU . 8.8 mm . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 13.7 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.514 0.197 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.547 HG22 ' SD ' ' A' ' 93' ' ' MET . 40.7 t -128.16 151.01 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -160.36 145.5 14.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 1.006 ' OE2' HD11 ' A' ' 61' ' ' ILE . 1.6 pm0 -117.77 142.32 47.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.68 121.99 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.464 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.5 mt -105.55 127.79 27.81 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -101.96 91.73 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.72 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.7 t -79.68 98.13 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 12.6 mt -106.26 150.95 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 72' ' ' VAL . 17.7 ttp -139.95 137.78 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.81 164.09 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -51.06 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -115.49 160.51 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.4 tt0 -64.74 -49.82 69.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.79 -33.48 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.05 -54.46 8.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 104' ' ' VAL . 17.6 tmm? -57.32 -38.51 74.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.82 -43.05 99.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 3.7 tp10 -62.76 -57.24 11.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 40.4 m95 -53.71 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 107.976 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.6 t -41.82 -51.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 5.4 ttpp -44.86 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 27.9 m-85 -55.34 -47.72 75.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.4 mt -55.32 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 104' ' ' VAL . 1.2 mtt-85 -53.14 -55.96 20.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -38.42 -56.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.551 HG11 HD12 ' A' ' 53' ' ' LEU . 93.5 t -64.23 -54.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . 37.9 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 5.5 tmtm? -124.04 133.13 53.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 144.83 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.99 172.94 45.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.9 m95 -103.1 125.63 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD21 ' CD1' ' A' ' 103' ' ' TRP . 7.4 mt -124.77 144.49 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.59 105.67 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' A' ' 38' ' ' TYR . 24.9 tttt -99.84 129.52 45.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.66 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 89.3 m95 -114.37 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -111.09 118.74 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 113.92 8.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -122.76 165.75 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.6 t80 -100.51 104.19 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.826 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -93.1 134.65 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.55 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -126.09 126.02 43.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -118.62 -79.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.46 -150.23 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.1 mt-30 -74.76 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -165.0 145.71 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.4 tm? -99.64 123.05 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 47.6 m-85 -110.71 154.47 23.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 p90 -159.67 127.62 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.1 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.43 37.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.69 133.2 26.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.89 122.42 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -67.41 107.72 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.3 mt -62.12 -43.17 85.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.69 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -132.79 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 1.1 m -134.47 110.52 9.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.47 103.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD3' HD13 ' A' ' 76' ' ' ILE . 12.8 mtpp -110.99 141.44 44.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.74 91.59 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.9 mm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 9.0 m-85 . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.508 0.194 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' MET . 49.8 t -138.24 124.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.59 138.24 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.3 pt-20 -117.99 145.08 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -103.95 132.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.561 HD13 ' HD3' ' A' ' 59' ' ' LYS . 2.2 mp -110.69 126.94 27.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.424 ' CB ' HG13 ' A' ' 76' ' ' ILE . 84.1 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.32 90.59 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.66 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 53.2 t -72.0 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.5 mt -109.29 138.09 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -132.44 121.02 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.26 159.14 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.2 p -81.96 -42.72 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -124.57 145.77 49.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 tt0 -51.71 -47.45 63.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.36 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.69 88.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.0 ttp -69.16 -59.91 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -39.99 -56.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -59.65 -49.74 76.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.778 ' CD1' HD21 ' A' ' 14' ' ' LEU . 6.5 m95 -53.72 -71.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' TRP . 41.2 t -40.39 -50.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -47.19 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 10' ' ' LYS . 16.2 m-85 -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.75 -70.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -51.15 -50.92 58.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -38.22 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 34' ' ' GLN . 54.0 t -50.42 -51.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' A' ' 106' ' ' PHE . 5.2 mt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -125.13 141.48 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.757 ' HG2' HG22 ' A' ' 30' ' ' VAL . 29.7 mtm -140.14 141.8 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.66 173.81 46.08 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -99.1 117.12 32.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.3 mt -117.32 151.05 37.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.52 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.2 127.77 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.632 ' NE2' HG11 ' A' ' 91' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 88.9 m95 -100.84 102.28 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 108.015 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -94.91 117.71 30.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -69.03 122.64 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.7 mmp_? -134.86 156.35 49.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.62 100.9 13.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 20.0 m-85 -89.79 141.66 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.757 HG22 ' HG2' ' A' ' 11' ' ' MET . 19.3 t -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -108.99 112.45 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.46 127.22 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 48.2 -138.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.07 44.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.5 mt-30 -150.9 136.62 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.748 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -100.24 124.59 45.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 26.2 m-85 -119.57 164.97 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -159.61 128.48 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.045 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.9 m-85 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.7 mm-40 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.34 127.8 4.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.07 140.02 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.52 115.39 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -63.14 104.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -57.98 -43.68 98.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 54.79 3.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.9 43.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.3 m -132.91 170.45 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.0 m -133.93 109.4 9.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.01 121.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -127.81 150.48 49.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -96.32 82.38 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.1 mm . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.3 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.506 0.193 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.47 141.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 10.8 p90 -149.27 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 1.2 pt-20 -117.59 145.77 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.78 129.57 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.631 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.4 mt -111.88 121.98 38.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.44 ' CB ' HG13 ' A' ' 76' ' ' ILE . 20.5 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -105.73 90.76 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG11 ' NE2' ' A' ' 17' ' ' GLN . 81.4 t -76.5 103.07 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.2 mt -112.02 147.29 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.523 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 31.3 ttp -133.08 142.05 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.43 162.82 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 m -80.73 -56.75 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -108.36 153.55 23.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.0 tt0 -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.05 -30.71 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.75 -49.73 17.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -62.61 -35.72 80.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.06 -43.32 87.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -66.7 -55.59 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' A' ' 31' ' ' LEU . 7.8 m95 -50.0 -55.17 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.19 -49.48 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -41.21 -61.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.726 ' CD1' HG21 ' A' ' 9' ' ' ILE . 36.7 m-85 -63.54 -53.77 46.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 mt -44.86 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -52.65 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -41.79 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.54 HG11 HD12 ' A' ' 53' ' ' LEU . 53.4 t -46.23 -52.25 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG22 ' CE1' ' A' ' 106' ' ' PHE . 5.7 mm . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -133.89 135.94 43.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 128.9 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 169.33 40.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.7 m95 -98.7 115.55 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 103' ' ' TRP . 52.0 mt -118.24 145.94 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -84.7 125.28 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -112.84 129.41 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 96.0 m95 -82.47 121.29 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.4 112.79 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 103.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.67 151.59 34.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.9 t80 -83.97 98.68 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HD2' HD11 ' A' ' 36' ' ' LEU . 21.8 m-85 -87.53 132.41 34.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -126.92 145.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -110.61 119.21 38.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -129.9 119.11 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.45 -142.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -86.41 57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 8.6 mt-30 -164.2 145.81 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.929 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.0 tm? -116.61 119.83 36.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.5 m-85 -114.49 164.16 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -158.69 126.51 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.4 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.26 169.82 23.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.02 136.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.97 130.96 40.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -83.1 106.86 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.929 HD21 ' HB2' ' A' ' 36' ' ' LEU . 17.7 mt -55.1 -44.5 99.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 118.4 33.5 1.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 19.9 m -128.67 174.87 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.6 m -134.12 111.8 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.615 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -82.14 103.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HE3' HD11 ' A' ' 76' ' ' ILE . 4.2 mtmt -103.4 144.95 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -102.52 115.32 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.837 HD11 ' OE2' ' A' ' 74' ' ' GLU . 14.0 mm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 21.1 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.485 0.183 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG22 ' HG3' ' A' ' 93' ' ' MET . 19.9 t -133.24 144.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -154.99 137.95 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.837 ' OE2' HD11 ' A' ' 61' ' ' ILE . 4.8 pm0 -111.51 145.1 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 92' ' ' LEU . 3.8 mt -103.69 109.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE3' ' A' ' 59' ' ' LYS . 2.7 mp -86.93 130.34 48.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.447 ' HH ' ' HE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -93.12 91.5 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.55 99.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 HD11 ' A' ' 75' ' ' ILE . 13.8 mt -107.99 151.84 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -140.27 134.77 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.04 165.35 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -81.07 -48.38 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -114.07 165.36 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 59.3 tt0 -74.0 -49.46 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.87 -26.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -79.65 -49.61 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 31.6 ttp -64.59 -34.16 77.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.12 -43.96 85.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -56.33 19.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.738 ' CD1' HD11 ' A' ' 14' ' ' LEU . 38.7 m95 -49.42 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 58' ' ' ILE . 53.9 t -43.51 -56.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -61.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.472 ' CE1' HG22 ' A' ' 9' ' ' ILE . 28.4 m-85 -59.1 -55.12 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.59 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 104' ' ' VAL . 0.0 OUTLIER -52.41 -46.72 66.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -47.61 -62.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' PHE . 19.4 t -59.99 -46.47 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 32' ' ' ARG . 57.9 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 9.8 tttp -141.06 138.49 33.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mtm -132.12 132.44 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 165.25 36.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.67 126.26 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 103' ' ' TRP . 4.8 mt -125.77 157.46 37.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.33 103.7 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -91.47 117.81 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 27.7 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 23.3 p30 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 79.3 m95 -126.92 124.56 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.79 114.63 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.63 103.13 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -116.86 176.01 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -100.38 102.94 14.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HD2' HD11 ' A' ' 36' ' ' LEU . 11.0 m-85 -87.26 135.12 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.8 122.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.85 HD12 HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -96.82 143.49 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.82 -151.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.73 119.88 24.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HA ' HG11 ' A' ' 110' ' ' VAL . 50.3 mt-30 37.19 44.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.5 mt-30 -165.33 151.09 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.85 HD23 HD12 ' A' ' 31' ' ' LEU . 3.1 tm? -126.94 141.8 51.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.657 ' N ' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -137.74 165.61 25.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.65 126.96 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.98 172.8 29.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.43 137.82 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -130.89 128.96 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 0.7 OUTLIER -79.35 113.58 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -63.89 -41.59 64.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.54 12.47 21.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 111' ' ' ALA . 15.3 p -89.09 166.15 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.2 m -134.54 100.53 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -83.61 115.78 26.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG3' HG22 ' A' ' 57' ' ' THR . 12.9 mtmt -119.7 120.99 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.66 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 8.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.516 0.198 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.04 132.86 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -143.01 139.48 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.1 pt-20 -113.3 137.24 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.5 126.48 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 89' ' ' SER . 3.1 mt -105.59 126.44 30.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 76' ' ' ILE . 63.1 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' OH ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -105.68 91.13 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.419 ' C ' HD23 ' A' ' 92' ' ' LEU . 19.3 t -76.6 96.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 11.0 mt -104.61 145.83 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.563 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 32.3 ttp -132.54 142.02 49.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -114.02 150.55 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.39 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -106.12 -174.25 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 53.3 tt0 -95.78 -46.8 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.01 -30.96 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -77.2 -46.79 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.0 ttp -63.34 -36.63 84.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.92 -41.81 95.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 9.0 tp10 -67.83 -47.07 70.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 10' ' ' LYS . 11.5 m95 -54.5 -61.1 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 58' ' ' ILE . 39.4 t -51.89 -46.86 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CE ' ' OE2' ' A' ' 102' ' ' GLU . 11.6 ttpp -43.94 -67.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 28.4 m-85 -55.56 -57.71 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 103' ' ' TRP . 9.6 mt -44.31 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HG2' HD13 ' A' ' 58' ' ' ILE . 3.6 mtt180 -54.89 -53.99 48.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -37.71 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 34' ' ' GLN . 58.0 t -46.42 -47.74 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 9.2 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' SD ' ' A' ' 11' ' ' MET . 4.4 tttt -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.501 ' CG ' HG22 ' A' ' 30' ' ' VAL . 3.8 mpp? -147.53 144.69 28.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 162.89 29.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 12.8 m95 -91.87 113.39 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 103' ' ' TRP . 24.1 mt -113.61 172.93 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.52 111.44 22.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -104.36 126.83 51.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 85.3 m95 -99.54 133.68 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -113.76 118.58 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.77 97.42 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.17 165.4 12.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 2.6 t80 -96.71 106.3 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.528 ' HD2' HD11 ' A' ' 36' ' ' LEU . 26.2 m-85 -92.3 140.91 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 11' ' ' MET . 20.4 t -131.08 135.21 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -105.47 107.08 17.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 74.1 ttt180 -127.25 146.07 50.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.66 -143.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.15 39.87 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.2 mt-30 -146.07 138.26 25.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.901 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.9 tm? -100.93 125.23 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.628 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -119.62 163.89 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -158.67 128.76 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.03 145.59 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.9 p -124.72 136.37 53.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.73 119.93 31.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.21 105.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 36' ' ' LEU . 53.7 mt -59.72 -43.47 95.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.3 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 3.5 m -135.03 170.81 15.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.502 ' O ' HD12 ' A' ' 76' ' ' ILE . 14.2 m -134.73 106.83 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.513 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -79.01 110.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -111.67 143.18 42.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -91.14 125.54 35.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 4.7 mp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.7 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.508 0.194 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.8 t -135.38 133.88 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -143.78 155.41 44.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -127.97 139.82 52.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.59 117.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 57' ' ' THR . 2.7 mp -94.94 134.54 24.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -108.46 91.09 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.508 HG12 ' CH2' ' A' ' 24' ' ' TRP . 71.0 t -76.67 99.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.12 144.58 33.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 ttp -130.69 140.29 50.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.62 156.17 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p -81.34 -42.42 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -117.32 156.24 28.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 46.4 tt0 -68.78 -49.78 55.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.44 -30.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.45 -50.68 11.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.6 ttp -61.75 -34.93 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.23 -43.69 90.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.41 -57.71 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.53 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 33.2 m95 -45.61 -61.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.02 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 58' ' ' ILE . 60.2 t -49.95 -51.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -46.74 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 30.6 m-85 -54.13 -52.0 62.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' C ' ' A' ' 103' ' ' TRP . 10.1 mt -52.16 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -45.08 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -47.86 -67.8 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 53' ' ' LEU . 88.0 t -54.17 -52.66 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 15.9 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 7.8 tmtm? -128.56 129.64 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.463 ' HG2' HG13 ' A' ' 30' ' ' VAL . 2.3 mtm -129.7 154.56 47.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.53 161.36 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -91.57 112.58 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 17.4 mt -111.01 156.51 21.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 2.9 mtmt -97.22 108.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 47.9 tttp -100.34 128.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 91.3 m95 -94.37 127.51 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 107.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -111.66 117.45 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 100.62 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -116.77 160.13 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.12 102.39 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 36' ' ' LEU . 17.8 m-85 -88.74 141.44 28.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG13 ' HG2' ' A' ' 11' ' ' MET . 69.4 t -135.87 139.01 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -105.99 121.87 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -142.81 129.16 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.67 -140.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -101.75 30.91 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -138.81 138.61 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.9 tm? -99.78 130.3 45.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.736 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.1 m-85 -122.67 161.91 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -153.54 132.45 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 9.1 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 15.1 mm100 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.98 166.7 17.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -149.24 115.9 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -116.76 123.33 46.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -69.81 104.64 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 10.1 mt -57.08 -43.84 99.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.07 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.768 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 132.65 43.42 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 15.5 m -131.57 173.47 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.548 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 m -134.44 103.95 5.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -81.44 102.08 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' CG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.72 146.25 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -99.35 98.96 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.8 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.535 0.207 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 93' ' ' MET . 19.8 t -124.02 128.2 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -143.11 136.47 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -110.58 139.05 46.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.4 117.17 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.5 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.3 mt -97.45 123.12 53.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.409 ' CB ' HG13 ' A' ' 76' ' ' ILE . 12.9 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -101.15 91.51 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 71.3 t -75.19 101.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.567 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 31.6 ttp -126.12 129.95 50.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -99.92 158.29 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -56.63 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.8 p -103.75 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 44.6 tt0 -94.96 -36.21 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.77 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.31 -42.63 30.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.589 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 27.7 ttp -70.36 -32.57 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.9 -45.07 71.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.23 -47.56 85.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 26.6 m95 -58.49 -67.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.015 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 58' ' ' ILE . 65.3 t -42.94 -50.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -64.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 12.2 m-85 -54.86 -54.28 44.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.83 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 104' ' ' VAL . 37.2 mtt180 -48.75 -43.5 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -54.26 -56.45 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.561 HG11 HD12 ' A' ' 53' ' ' LEU . 36.2 t -63.96 -51.48 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.5 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 5.4 tmtm? -146.58 120.72 9.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.73 147.3 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.61 158.75 20.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -88.37 129.43 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 103' ' ' TRP . 27.3 mt -129.71 157.7 41.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 108.7 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -100.88 130.9 46.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.657 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 77.1 m95 -127.55 133.75 49.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -114.44 117.05 29.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -79.44 97.91 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -110.96 176.16 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -101.06 102.69 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.1 m-85 -88.65 143.27 27.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.3 t -138.27 144.66 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -110.81 125.75 53.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -141.14 128.22 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.01 -141.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -97.17 52.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -158.36 145.84 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.791 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -107.81 129.67 55.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.578 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.5 m-85 -124.65 165.7 17.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -159.57 127.05 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 160.57 15.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 117.6 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.89 136.86 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -82.71 106.36 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 36' ' ' LEU . 29.7 mt -61.66 -43.89 89.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 54.46 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.64 43.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.28 161.69 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.542 HG22 ' HD3' ' A' ' 59' ' ' LYS . 1.9 m -121.98 116.13 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.56 108.55 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 76' ' ' ILE . 2.8 mtpm? -117.7 143.94 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -88.94 86.1 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.7 mm . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 16.9 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.535 HG22 ' SD ' ' A' ' 93' ' ' MET . 96.4 t -131.64 134.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -145.66 137.59 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -117.1 145.28 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 92' ' ' LEU . 1.7 mt -107.71 131.27 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.565 HD11 ' NZ ' ' A' ' 59' ' ' LYS . 2.7 mp -111.03 129.73 23.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.426 ' CB ' HG13 ' A' ' 76' ' ' ILE . 13.5 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 m-30 -85.83 90.79 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.657 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 99.3 t -76.41 100.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.525 HD12 HD11 ' A' ' 75' ' ' ILE . 14.7 mt -109.19 141.93 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.535 ' SD ' HG22 ' A' ' 72' ' ' VAL . 21.1 ttp -132.2 139.98 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.61 162.35 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -80.94 -48.71 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -114.73 169.26 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 57.1 tt0 -75.98 -47.0 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.09 -28.92 11.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.59 -50.66 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.597 ' SD ' HG21 ' A' ' 104' ' ' VAL . 16.0 tmm? -61.29 -38.92 88.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.47 -41.27 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -63.93 -55.96 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.674 ' CD1' HD11 ' A' ' 14' ' ' LEU . 30.7 m95 -54.48 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.1 t -42.81 -50.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -47.39 -64.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 28.8 m-85 -54.14 -49.98 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.13 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -50.11 -43.78 51.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 53' ' ' LEU . 76.1 t -50.53 -53.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.6 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE2' ' CG ' ' A' ' 102' ' ' GLU . 2.5 tttp -142.7 139.4 31.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.461 ' HG3' HG13 ' A' ' 30' ' ' VAL . 3.7 mpp? -145.4 152.08 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.88 169.94 35.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -92.93 111.3 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 11.1 mt -112.72 151.53 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.65 113.45 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 19.5 tttm -104.06 125.89 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 86.7 m95 -118.91 129.65 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -112.66 115.11 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.83 101.92 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 163.02 15.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.21 100.1 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.702 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.7 m-85 -85.52 144.61 27.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 11' ' ' MET . 78.6 t -137.45 131.83 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.33 108.02 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.47 128.68 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.64 -143.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -90.13 57.35 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.4 151.43 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.1 tm? -116.96 128.27 55.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.557 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.8 m-85 -124.02 172.83 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -158.66 136.16 10.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 29.8 mm-40 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.65 168.17 13.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 p -150.48 126.01 10.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 121.87 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.98 105.79 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -56.45 -43.93 99.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 81.48 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.54 41.31 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 10.3 m -130.68 170.08 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.658 HG22 ' HD2' ' A' ' 59' ' ' LYS . 38.6 m -131.95 111.31 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.38 118.85 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HD2' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -126.08 148.92 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -93.64 80.19 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.0 mm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 3.0 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.528 0.204 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.505 HG22 ' HG3' ' A' ' 93' ' ' MET . 57.3 t -114.92 129.29 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -147.98 141.06 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.83 ' OE2' HD11 ' A' ' 76' ' ' ILE . 1.2 pm0 -113.39 148.42 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.414 HD11 HD12 ' A' ' 92' ' ' LEU . 2.9 mt -114.13 128.47 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.83 HD11 ' OE2' ' A' ' 74' ' ' GLU . 2.7 mp -108.88 130.64 22.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.89 91.64 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.9 t -74.02 96.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.453 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.3 mt -104.66 143.36 33.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.598 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.3 ttm -134.27 130.96 37.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -99.19 161.39 13.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 33.39 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 175.16 150.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 1.4 tt0 -66.62 -44.07 83.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.71 -28.04 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.35 -45.55 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 100' ' ' MET . 12.0 tmm? -70.41 -42.86 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.89 -42.72 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 9.6 tp10 -61.96 -67.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 45.4 m95 -44.15 -60.17 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.0 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.2 -58.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -40.07 -62.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -58.56 -48.62 80.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.5 mt -53.57 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.79 49.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -55.44 -63.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 53' ' ' LEU . 74.3 t -55.79 -49.06 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.659 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 5.9 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 4.5 tttp -135.43 124.81 24.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.71 123.19 38.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.69 -178.86 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.458 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 14.2 m95 -107.46 134.89 49.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.5 mt -133.8 167.07 21.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -104.59 115.11 29.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -104.82 122.27 45.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 21.1 t30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 79.0 m95 -121.33 133.44 55.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -117.07 117.42 29.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -68.89 103.92 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -119.67 165.21 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD2' ' NE1' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -92.4 115.0 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 11.3 m-85 -104.22 128.61 51.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.25 145.87 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -111.55 111.72 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -122.8 131.5 53.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.04 -141.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -91.67 52.99 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.3 mt-30 -160.02 143.58 14.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -107.32 119.39 39.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.564 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.8 m-85 -115.86 168.24 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -158.46 129.08 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.543 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 22.2 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.07 163.65 12.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.435 1.084 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.5 p -145.04 121.26 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 127.38 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -72.91 106.86 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 18.2 mt -59.59 -43.32 95.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.05 60.75 5.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.57 44.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER -131.56 171.83 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -132.26 110.48 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.438 HD13 ' HD2' ' A' ' 108' ' ' ARG . 2.5 mp -87.14 102.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mtmt -102.51 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.99 107.51 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 15.0 mm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.7 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.536 0.207 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.3 t -138.14 132.99 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.26 135.37 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.2 pt-20 -112.94 142.9 45.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.17 128.95 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 mt -112.11 123.48 34.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' HG13 ' A' ' 76' ' ' ILE . 18.8 p . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -90.63 90.54 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG12 ' CH2' ' A' ' 24' ' ' TRP . 58.5 t -74.83 100.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -107.76 147.4 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.628 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 30.4 ttp -136.94 139.83 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.21 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.26 32.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -174.24 151.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 tt0 -73.08 -44.29 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.58 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -44.38 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.418 ' SD ' ' C ' ' A' ' 100' ' ' MET . 12.4 tmm? -73.05 -39.18 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.41 -43.99 95.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 3.1 tp10 -63.97 -55.13 24.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.63 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.3 m95 -54.75 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 107.956 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.8 t -53.86 -50.08 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.2 -61.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.659 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 40.0 m-85 -63.39 -53.0 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.1 -58.92 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -60.36 -55.23 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -39.52 -68.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 53' ' ' LEU . 60.8 t -48.35 -54.3 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.645 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.8 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 3.1 tmtm? -124.65 137.88 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -144.97 138.87 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.11 172.12 45.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.3 m95 -95.3 129.05 42.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.4 mt -128.17 168.07 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.13 104.04 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -94.27 128.35 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.6 t30 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 75.5 m95 -112.03 140.95 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -119.35 117.36 28.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.28 99.11 4.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.0 176.04 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.4 t80 -104.78 111.35 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.8 m-85 -98.24 136.94 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.28 138.32 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -109.01 107.36 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -127.17 130.44 49.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.72 -141.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.53 52.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.3 mt-30 -159.13 136.89 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 tm? -99.83 127.59 45.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 30.0 m-85 -122.56 165.17 16.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 126.32 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.8 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 160.84 24.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.64 128.09 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.64 119.1 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -65.24 103.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 9.8 mt -58.22 -43.94 98.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 60.09 5.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.36 44.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.4 m -131.95 173.9 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -134.17 112.5 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.47 111.89 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 7.0 mtmt -117.69 144.94 44.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.76 112.08 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.845 HD11 ' OE2' ' A' ' 74' ' ' GLU . 19.2 mm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 14.1 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.525 0.203 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 93' ' ' MET . 78.3 t -128.36 144.21 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 16.8 p90 -158.71 143.18 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.845 ' OE2' HD11 ' A' ' 61' ' ' ILE . 5.6 pm0 -116.85 149.24 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.29 121.13 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.83 128.27 26.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -99.38 91.26 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.404 HG12 ' CH2' ' A' ' 24' ' ' TRP . 92.2 t -81.27 99.26 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' PHE . 14.1 mt -105.98 144.25 32.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 72' ' ' VAL . 5.1 ttm -130.63 135.54 47.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.73 150.33 24.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.5 m -117.57 165.15 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 61.2 tt0 -71.93 -53.41 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.97 -26.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.54 -48.65 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.613 ' SD ' HG21 ' A' ' 104' ' ' VAL . 19.1 tmm? -65.22 -41.89 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.24 -50.3 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.51 -49.91 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.0 m95 -57.27 -71.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 108.024 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.613 HG21 ' SD ' ' A' ' 100' ' ' MET . 54.5 t -40.49 -55.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -63.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-85 -57.32 -56.2 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.7 mt -46.2 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.36 -45.54 65.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -52.34 -66.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 53' ' ' LEU . 54.0 t -51.73 -52.68 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -110.27 146.2 36.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.744 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.8 74.54 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.67 -76.71 1.06 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 151.89 49.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p 172.67 -55.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 -171.23 23.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.0 -176.34 2.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.593 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.9 mp -116.56 -45.83 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' CE ' ' HB3' ' A' ' 102' ' ' GLU . 3.9 tttt -133.96 135.72 43.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -142.84 145.19 32.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.94 162.29 27.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -84.29 112.09 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.5 mt -113.03 157.21 21.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.05 116.12 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 30.3 tttm -106.52 128.92 54.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.727 ' NE2' HG11 ' A' ' 91' ' ' VAL . 0.9 OUTLIER -65.93 138.55 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.26 -173.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 p -75.11 -64.6 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.86 55.41 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -146.39 158.44 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.78 38.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -116.21 166.98 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' OE1' ' A' ' 17' ' ' GLN . 84.9 m95 -120.83 140.64 51.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.011 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.66 106.69 14.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -73.35 100.58 3.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -118.74 163.48 16.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 1.5 t80 -88.97 103.94 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 14.3 m-85 -88.82 142.08 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.3 t -135.98 143.01 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -110.27 108.88 19.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.435 ' HG3' ' CA ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -123.11 124.32 42.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.6 -142.91 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.5 56.28 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.1 mt-30 -162.95 139.0 7.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.8 tm? -102.85 127.64 49.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.731 ' N ' HD13 ' A' ' 36' ' ' LEU . 29.3 m-85 -123.14 167.8 13.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 127.5 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.4 m-85 -113.39 158.48 20.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -65.45 -39.89 92.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -143.69 179.25 7.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -98.59 40.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -125.54 -54.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 164.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.6 p -129.32 36.39 4.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -141.47 123.56 9.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.97 21.08 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.506 1.793 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -79.85 -70.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.05 150.97 17.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.3 p -136.97 119.49 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.563 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -115.31 123.79 49.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -70.91 106.95 3.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 36' ' ' LEU . 23.7 mt -59.05 -43.33 97.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.08 55.77 4.09 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.536 1.809 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.04 43.96 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.81 170.24 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.426 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -134.31 106.19 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.498 HG21 HG13 ' A' ' 104' ' ' VAL . 2.7 mp -84.13 112.11 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.7 mtmt -116.82 129.01 55.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -80.13 110.38 15.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mm -92.28 142.15 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB1' ' HE2' ' A' ' 70' ' ' LYS . . . -111.66 140.01 46.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 64' ' ' ASN . 26.7 m -66.29 -127.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.382 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' H ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -61.06 159.28 29.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -39.4 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.0 -50.19 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -47.44 148.74 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.02 135.13 41.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 70' ' ' LYS . . . 87.74 84.64 1.19 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -138.37 137.91 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 0.781 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 2.5 m-85 -110.8 77.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.6 t -127.57 137.89 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -154.26 135.25 13.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.1 pt-20 -112.02 145.08 40.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -103.4 127.87 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -107.01 120.96 46.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.02 159.29 41.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.45 162.12 10.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.7 m 53.4 101.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.417 ' O ' ' CE3' ' A' ' 80' ' ' TRP . 59.5 t90 -161.13 92.58 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.56 -47.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.14 41.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.06 84.82 2.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.98 43.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 45.1 mtp -128.14 -74.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -161.74 108.59 0.36 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -166.26 79.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.03 146.16 28.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.435 ' CB ' HG13 ' A' ' 76' ' ' ILE . 66.6 p -57.64 176.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' HB2' ' HE2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -103.91 91.47 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.727 HG11 ' NE2' ' A' ' 17' ' ' GLN . 61.2 t -71.84 103.09 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.74 145.38 40.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.1 ttp -139.76 134.75 32.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -105.57 153.22 22.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -68.49 -55.29 12.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.961 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.0 m -105.68 161.14 14.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.027 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 41.1 tt0 -70.43 -57.72 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -40.76 -29.78 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 3.8 tt0 -77.64 -49.26 14.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.546 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 30.2 ttp -63.99 -35.82 81.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.04 -45.57 91.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.442 ' HB3' ' CE ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.1 -58.57 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.7 ' CD1' HD11 ' A' ' 14' ' ' LEU . 18.0 m95 -46.04 -62.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 58' ' ' ILE . 54.6 t -50.72 -53.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.86 -63.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.593 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 20.6 m-85 -56.61 -54.66 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 HD23 ' A' ' 36' ' ' LEU . 12.4 mt -48.28 -62.04 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -43.88 77.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -71.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.5 t -48.07 -48.93 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.83 -38.21 47.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.83 -51.71 38.16 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.2 t -61.11 119.23 7.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -154.07 -173.88 23.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 84.75 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.0 m -162.21 110.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.025 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.3 p -77.55 -0.28 25.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -78.26 123.05 26.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.96 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -130.16 89.88 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.92 -84.34 0.59 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.41 1.069 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.92 141.36 25.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.786 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.54 109.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.69 -171.11 24.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.773 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 4.7 mt -129.13 -57.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.4 126.56 42.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.14 142.42 50.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.87 166.64 35.76 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.463 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.9 m95 -100.04 121.8 41.93 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 103' ' ' TRP . 14.3 mt -122.26 152.76 39.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -87.29 113.34 22.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -102.19 131.31 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.92 125.7 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.35 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 179.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.6 m -48.81 -90.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.969 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -137.49 63.47 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -130.16 8.8 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt 44.53 64.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.469 ' HB2' HG23 ' A' ' 21' ' ' VAL . 9.3 t-20 -146.14 171.19 15.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 82.1 m95 -126.59 122.58 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -110.27 120.51 42.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.412 1.07 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.38 99.13 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 168.38 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.487 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 3.4 t80 -107.23 108.38 19.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 92' ' ' LEU . 39.4 m-85 -100.34 136.67 39.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -130.65 135.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.531 HD11 HD23 ' A' ' 107' ' ' LEU . 0.3 OUTLIER -103.78 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 6.6 ttt180 -132.43 134.7 45.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 47.13 -144.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -93.88 29.68 2.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 16.0 mt-30 -135.5 142.02 45.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.962 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.5 tm? -106.66 124.66 49.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -118.0 161.93 18.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.2 126.21 4.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CD2' ' O ' ' A' ' 44' ' ' ASP . 33.2 m-85 -108.31 148.54 29.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -172.42 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.3 tt0 -77.88 -51.37 10.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.155 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' ASP . 3.5 mt-10 -77.29 -89.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 4.2 t70 39.67 85.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.4 p -54.04 -54.78 34.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 1.7 tpmt? -72.78 127.26 89.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.04 154.52 42.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -83.14 -55.42 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -140.98 172.18 23.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.6 p -144.33 136.45 26.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.05 124.11 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' C ' ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -74.72 107.6 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.962 HD21 ' HB2' ' A' ' 36' ' ' LEU . 27.8 mt -57.07 -43.3 99.28 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.05 91.15 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.91 3.69 8.21 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.79 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -93.15 172.95 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.5 m -134.3 100.57 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.423 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.496 HD13 ' HG2' ' A' ' 108' ' ' ARG . 2.0 mp -81.19 115.27 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 14.5 mtmt -121.27 147.89 45.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -101.17 98.73 9.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.579 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.6 mm -74.12 130.05 36.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.0 149.4 33.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.4 m -92.57 140.14 29.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.47 167.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.98 4.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -113.95 -77.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.82 -156.85 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.14 61.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 59.0 156.6 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.45 1.094 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptt -160.52 155.6 24.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 10.0 m-30 -110.14 65.97 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.602 HG13 ' HB2' ' A' ' 93' ' ' MET . 2.6 t -126.41 126.12 68.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -141.14 140.35 34.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.4 pt-20 -114.85 151.06 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.79 HG22 ' SG ' ' A' ' 56' ' ' CYS . 5.1 mt -107.2 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 2.7 mp -92.82 117.01 67.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.95 153.95 42.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.797 . . . . 0.0 111.063 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -39.94 -60.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.23 150.23 30.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.029 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 2.0 p90 -168.24 48.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.96 -56.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 177.85 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 63.98 -177.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -95.14 30.9 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -148.64 60.0 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.47 155.27 46.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 39.74 62.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.294 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.11 97.9 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.5 p -93.78 180.0 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 2.4 m-30 -100.64 91.13 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.89 101.92 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD2' ' CZ ' ' A' ' 29' ' ' PHE . 18.0 mt -111.64 146.6 37.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.602 ' HB2' HG13 ' A' ' 72' ' ' VAL . 1.6 tmm? -140.61 132.02 26.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -99.43 -179.64 4.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -93.77 -47.56 6.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -116.52 173.06 6.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 16.3 tt0 -77.09 -44.43 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.43 -28.54 20.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -76.12 -58.41 3.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.45 ' SD ' HG21 ' A' ' 104' ' ' VAL . 12.7 tmm? -57.3 -36.93 71.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.2 -41.38 98.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.54 -62.42 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.798 ' CD1' HD11 ' A' ' 14' ' ' LEU . 24.2 m95 -46.54 -59.29 3.08 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 ' SD ' ' A' ' 100' ' ' MET . 29.6 t -51.84 -51.12 30.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.7 ttpt -46.55 -61.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -60.64 -47.37 86.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.531 HD23 HD11 ' A' ' 31' ' ' LEU . 36.9 mt -53.68 -65.69 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.496 ' HG2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -56.63 -51.22 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 5.5 ttm-85 -39.09 -58.96 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 53' ' ' LEU . 84.5 t -62.69 -43.59 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.54 -32.87 52.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -120.39 54.54 0.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.2 t -106.71 160.25 15.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.07 172.06 0.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 159.46 41.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 p -169.56 145.97 3.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 99.6 p -165.39 88.52 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.44 157.93 5.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -178.65 144.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.25 -111.72 3.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m 51.19 99.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 p -88.39 103.92 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.02 -171.51 14.03 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.96 -174.51 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG22 ' CE1' ' A' ' 106' ' ' PHE . 3.3 mt -118.5 -40.28 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 4.1 tmtm? -139.17 133.22 31.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.433 ' CE ' ' HG2' ' A' ' 8' ' ' PRO . 2.3 mpp? -138.14 150.68 47.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.25 163.27 26.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.0 m95 -88.25 120.36 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' A' ' 103' ' ' TRP . 8.9 mt -119.53 150.9 39.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 1.1 mtmt -91.67 100.26 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -91.01 127.55 36.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' NE2' ' CZ2' ' A' ' 24' ' ' TRP . 3.1 tt0 -58.61 123.06 15.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.04 164.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.33 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -39.71 -88.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.993 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.9 mt -137.29 57.8 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG22 ' CB ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -124.98 9.08 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? 43.22 58.75 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.523 ' HB2' HG23 ' A' ' 21' ' ' VAL . 8.2 t-20 -143.85 170.81 15.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 93.4 m95 -116.9 122.93 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.25 112.86 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.57 97.9 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -113.2 167.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.483 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 3.0 t80 -97.61 116.65 30.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.0 m-85 -104.09 135.62 45.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.6 t -129.22 135.74 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.657 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.85 109.2 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -121.95 116.8 24.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.262 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 57.64 -143.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -91.74 49.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -155.92 145.53 21.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.701 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.0 tm? -107.43 125.01 50.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' N ' HD13 ' A' ' 36' ' ' LEU . 86.0 m-85 -115.28 164.64 13.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.4 p90 -159.15 126.22 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.599 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 9.9 m-85 -117.89 156.14 28.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -56.77 -37.07 70.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -151.05 -177.38 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -101.74 46.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -125.02 -48.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.62 164.67 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.6 p -112.39 -34.42 5.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -76.68 128.14 82.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.238 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.599 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.07 163.28 35.48 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -96.33 -54.04 3.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.38 160.27 25.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.1 p -136.03 133.51 37.53 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.87 124.25 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.76 107.77 2.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.653 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.5 mt -63.45 -43.31 78.51 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 88.23 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.435 1.755 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.73 -21.9 4.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -67.44 156.37 36.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 37.7 m -118.88 116.24 26.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mp -90.69 106.41 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 7.3 mtmt -110.89 130.6 55.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -86.17 111.01 19.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 72' ' ' VAL . 12.4 mm -77.09 119.45 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.81 153.87 18.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.595 HG22 ' H ' ' A' ' 64' ' ' ASN . 44.4 m -90.03 176.92 6.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.595 ' H ' HG22 ' A' ' 63' ' ' THR . 1.4 t30 -40.42 159.26 0.14 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.56 3.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.776 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.12 31.15 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -119.53 176.58 5.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.16 172.74 12.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.62 146.67 35.91 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.73 157.54 43.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.2 m-85 -113.78 90.74 3.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.482 HG22 ' HG3' ' A' ' 93' ' ' MET . 21.5 t -134.26 129.88 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 100' ' ' MET . 18.5 p90 -142.68 133.69 25.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 1.8 pt-20 -111.53 146.4 37.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.66 135.16 46.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.2 mp -114.79 129.87 24.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.96 103.98 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.438 1.757 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' SER . . . 38.9 58.5 1.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' ALA . 70.1 p 37.8 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' GLN . 39.7 t-105 -59.73 167.65 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 108.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.0 99.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' TRP . 4.2 tt0 -94.54 106.03 18.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 173.72 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.76 34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.4 mtp -149.78 96.56 2.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.12 99.97 1.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -144.7 66.76 1.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 0.759 . . . . 0.0 110.315 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -116.36 -52.46 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 97.3 p 52.37 174.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -95.02 91.07 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.434 ' C ' HD23 ' A' ' 92' ' ' LEU . 59.8 t -77.66 102.01 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 91' ' ' VAL . 13.7 mt -110.96 135.87 50.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.543 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.8 ttm -124.36 132.53 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.482 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -101.85 157.43 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -50.01 16.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 97' ' ' GLN . 1.5 t -111.7 174.35 5.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 48.3 tt0 -81.28 -48.04 12.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.97 -23.85 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.03 -54.5 5.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 104' ' ' VAL . 21.5 ttp -58.79 -33.9 70.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.01 -47.74 67.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.337 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.46 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 tp10 -56.55 -60.19 3.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.657 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 28.9 m95 -50.3 -58.62 5.25 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 100' ' ' MET . 31.9 t -48.33 -55.93 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.5 ttpp -40.45 -58.31 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 38.0 m-85 -62.96 -55.36 26.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -49.06 69.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.0 ttt180 -46.81 -60.77 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.6 t -55.52 -50.72 64.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -50.1 -31.26 12.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 113' ' ' SER . . . 148.74 -75.43 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.2 OUTLIER 80.52 97.65 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' SER . . . -49.32 179.79 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.08 11.21 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.8 130.45 41.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m 42.34 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -99.39 133.77 43.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -115.61 91.99 3.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.42 87.87 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.59 -62.46 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 109.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t -139.17 86.49 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.48 -170.86 55.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.553 1.158 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.0 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' C ' ' HE2' ' A' ' 11' ' ' MET . 5.8 mt -119.84 -58.82 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.2 117.31 20.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.425 ' HE2' ' C ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -120.72 149.4 42.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.59 159.52 20.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -93.53 105.34 17.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.3 mt -105.94 147.85 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -83.94 118.09 23.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -109.8 129.38 55.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -76.24 99.53 4.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HD2' HG21 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.6 143.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' ILE . 75.6 m -51.08 141.04 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.3 mt 39.23 58.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.69 HG12 ' H ' ' A' ' 23' ' ' ASN . 2.2 t -157.74 141.7 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -101.17 40.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.69 ' H ' HG12 ' A' ' 21' ' ' VAL . 7.6 t30 -122.53 173.74 7.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.577 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 79.1 m95 -129.79 112.08 13.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -101.92 118.2 36.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.61 101.07 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG2' ' CD1' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -108.7 149.01 29.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.25 98.04 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.772 ' HD2' HD11 ' A' ' 36' ' ' LEU . 30.3 m-85 -88.58 138.61 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.41 129.25 59.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 106' ' ' PHE . 0.4 OUTLIER -96.86 104.34 16.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 8.5 mtp85 -123.55 143.89 49.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.89 -144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.13 49.92 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.8 mt-30 -158.19 142.05 15.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.772 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -102.58 122.82 45.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 32' ' ' ARG . 11.9 m-85 -117.05 165.65 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.2 p90 -159.89 126.52 4.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 19.7 m-85 -110.48 160.38 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.52 22.18 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 170.06 172.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.23 17.25 23.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.94 14.11 9.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 158.48 18.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -123.89 21.62 9.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.41 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -159.93 135.51 5.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.4 Cg_endo -74.97 131.58 14.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 18.4 mm-40 -64.92 -33.99 77.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -149.33 165.22 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.2 p -148.31 122.47 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.34 125.36 53.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.92 107.67 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -61.73 -43.01 86.49 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.04 55.34 3.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.669 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 153.98 44.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -134.42 172.41 12.94 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' CG ' ' A' ' 59' ' ' LYS . 17.8 m -134.32 112.62 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.454 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -88.65 110.1 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 10.9 mtmt -117.63 144.56 45.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -93.18 102.4 14.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.6 mm -75.59 113.38 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -119.72 153.3 35.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.8 m -105.11 148.31 26.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.407 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 55.97 167.25 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.32 7.88 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -150.72 -75.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 40.59 49.96 2.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.34 -155.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.18 106.07 2.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.53 164.01 11.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 -122.18 89.26 3.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.576 HG22 ' SD ' ' A' ' 93' ' ' MET . 58.4 t -143.13 137.4 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -150.36 138.19 20.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.6 pt-20 -110.76 153.45 25.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 HD12 ' A' ' 92' ' ' LEU . 10.2 mt -111.7 121.28 63.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' A' ' 77' ' ' PRO . 2.5 mp -104.85 139.0 19.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 76' ' ' ILE . 18.4 Cg_endo -75.0 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.53 1.805 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -108.79 -45.26 3.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.82 -33.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CE2' ' HA ' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -68.2 -76.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 80' ' ' TRP . 0.5 OUTLIER 80.8 -58.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.88 174.04 9.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -156.24 25.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 25.33 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 mtt -168.3 87.1 0.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.12 -111.28 3.22 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HA ' ' CE2' ' A' ' 80' ' ' TRP . 18.8 tm0? 67.54 90.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.23 76.73 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.469 ' CB ' HG13 ' A' ' 76' ' ' ILE . 60.3 p -55.79 -179.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -96.55 90.93 5.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.966 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 96.0 t -73.93 103.42 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.428 HD12 HD11 ' A' ' 75' ' ' ILE . 16.6 mt -111.94 151.46 29.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.577 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 27.2 ttp -140.54 144.85 36.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.552 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 155.53 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -60.6 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.9 p -97.12 -178.11 4.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 42.7 tt0 -90.79 -40.28 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.63 -24.8 66.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -78.64 -39.71 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.552 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.2 ttp -73.27 -37.38 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.942 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -63.12 -37.81 88.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.49 -60.75 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.805 ' CD1' HD11 ' A' ' 14' ' ' LEU . 29.9 m95 -47.17 -56.14 7.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.499 HG13 HG21 ' A' ' 58' ' ' ILE . 46.8 t -54.25 -48.53 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -63.0 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.485 ' HB3' HD13 ' A' ' 31' ' ' LEU . 20.8 m-85 -55.3 -46.77 76.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.92 -69.69 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.0 -42.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -51.3 -59.01 4.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.571 HG11 HD12 ' A' ' 53' ' ' LEU . 40.3 t -59.01 -51.72 69.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.43 -35.4 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 82.11 77.24 1.06 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.7 t -159.71 133.46 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.74 178.48 20.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.71 5.27 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.05 84.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.9 m -98.69 -62.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.075 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -146.05 139.76 26.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.78 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -127.78 -59.52 1.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.01 -118.52 4.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 p 41.37 88.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 -54.45 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.4 -170.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.98 -174.2 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.498 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 10.5 mt -116.45 -41.66 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HE2' ' CD2' ' A' ' 103' ' ' TRP . 0.1 OUTLIER -141.4 129.07 21.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.484 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -132.77 125.74 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . -167.93 -159.48 13.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.51 ' NE1' ' CD2' ' A' ' 28' ' ' TYR . 17.1 m95 -119.8 145.83 46.25 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' CE2' ' A' ' 103' ' ' TRP . 19.0 mt -147.08 159.53 43.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -98.38 118.49 35.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 90' ' ' TYR . 16.7 tttm -114.39 136.17 53.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -66.58 135.15 53.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -174.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.1 m -48.32 -94.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.058 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.627 ' C ' HG12 ' A' ' 21' ' ' VAL . 1.7 mt -120.81 86.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.627 HG12 ' C ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER 178.13 150.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.37 74.63 5.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -143.75 134.79 25.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.49 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 79.2 m95 -100.93 133.0 46.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -117.8 113.84 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.42 103.87 2.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.72 159.93 31.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -78.61 126.36 30.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 6.9 m-85 -117.22 118.9 33.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 11' ' ' MET . 41.9 t -118.04 149.4 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -116.7 118.29 32.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 1.5 ttt180 -127.14 131.45 50.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.44 -140.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -91.7 55.03 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.5 mt-30 -160.17 149.3 17.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.4 tm? -114.22 124.35 51.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.585 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.4 m-85 -120.19 165.6 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -156.13 131.4 9.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -110.6 142.84 41.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -51.69 -45.61 63.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -146.82 179.92 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.02 39.53 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.68 -59.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.58 158.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.0 p -108.57 -27.29 9.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -94.35 144.84 28.66 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -74.98 169.41 22.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -105.04 -69.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.99 167.34 13.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.2 p -149.22 128.17 12.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.94 126.47 45.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.0 OUTLIER -74.98 107.84 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 110.98 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.0 mt -59.32 -43.37 96.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 57.88 4.73 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . 154.14 44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 17.7 m -136.64 172.35 13.14 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.3 m -134.44 113.43 11.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.454 HG21 HG13 ' A' ' 104' ' ' VAL . 2.5 mp -85.68 111.3 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' HG3' HG22 ' A' ' 57' ' ' THR . 0.4 OUTLIER -118.42 136.87 53.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -92.77 108.22 19.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.0 mm -78.41 124.33 36.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.65 148.99 22.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 m -66.35 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -60.1 161.07 13.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.2 46.87 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -149.93 157.03 42.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.74 94.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 171.47 41.37 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 118.68 16.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.6 m-85 -84.62 88.73 7.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.9 t -134.91 143.79 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -161.0 132.87 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.2 pt-20 -107.18 152.16 24.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.5 mt -110.48 121.32 63.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -101.88 125.46 36.9 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.0 153.9 42.08 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.447 1.761 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' PRO . . . -40.17 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.3 m 61.12 -174.32 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 3.5 t90 67.83 69.95 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.67 168.67 10.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 59.01 99.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 84' ' ' ARG . 4.1 m-20 -44.56 -54.63 5.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 84' ' ' ARG . 2.8 tpt180 36.76 65.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.2 ptp 37.95 57.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.9 113.49 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.147 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -178.25 88.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.43 -60.26 3.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.446 ' CB ' HG13 ' A' ' 76' ' ' ILE . 59.9 p 50.31 -179.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -104.36 91.0 3.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.1 t -72.04 101.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.436 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 16.9 mt -109.4 149.13 29.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.49 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -143.19 135.21 26.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -104.88 152.77 22.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -50.14 43.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.5 p -102.86 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.018 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 51.8 tt0 -95.78 -52.39 4.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -49.94 -26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.64 -49.14 19.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.525 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.7 ttp -64.38 -35.98 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.4 -42.2 88.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.11 -50.99 62.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.567 ' CE2' HD11 ' A' ' 14' ' ' LEU . 61.3 m95 -56.77 -50.87 70.99 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 100' ' ' MET . 46.7 t -60.26 -50.04 81.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -67.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.498 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 10.5 m-85 -49.16 -53.46 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.406 HD12 ' O ' ' A' ' 103' ' ' TRP . 15.9 mt -51.66 -66.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -51.88 -38.19 55.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -54.79 42.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.578 HG11 HD12 ' A' ' 53' ' ' LEU . 77.1 t -66.17 -61.29 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -50.7 -25.54 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -69.44 -75.48 0.55 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -57.04 116.69 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 0.735 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 171.19 -166.11 39.22 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 160.28 40.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.6 m 64.32 101.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.7 -58.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -156.84 -59.0 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.974 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -106.64 150.01 26.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.74 85.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -116.93 167.9 10.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.78 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.32 -57.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.07 173.92 43.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' CB ' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -75.01 162.38 37.2 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.444 1.76 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.512 HG22 ' CE1' ' A' ' 106' ' ' PHE . 4.0 mt -90.56 -53.79 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HE3' ' CG ' ' A' ' 103' ' ' TRP . 0.0 OUTLIER -125.71 126.23 44.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.06 135.37 52.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.43 170.27 42.71 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -96.0 142.35 28.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD11 ' CD1' ' A' ' 103' ' ' TRP . 31.9 mt -140.72 156.04 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -94.94 116.87 29.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -108.52 130.9 55.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -63.63 146.88 52.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.614 ' CB ' HG13 ' A' ' 21' ' ' VAL . 2.4 mtp180 -61.6 -177.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -47.31 72.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . 9.8 mt -132.38 -60.65 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.614 HG13 ' CB ' ' A' ' 18' ' ' ARG . 2.8 p -40.25 147.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -90.46 74.2 6.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.55 148.07 42.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.578 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 77.3 m95 -101.17 129.97 47.18 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -112.61 115.93 29.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.31 115.49 11.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -129.54 173.8 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -102.73 103.79 14.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.741 ' HD2' HD11 ' A' ' 36' ' ' LEU . 15.3 m-85 -92.44 132.99 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' A' ' 8' ' ' PRO . 14.4 t -127.37 136.67 59.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -102.51 113.81 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -128.16 136.35 51.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.259 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.06 -141.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -97.19 53.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -161.61 140.89 9.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.0 tm? -101.68 126.97 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.527 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.6 m-85 -121.15 168.43 11.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.3 p90 -159.62 126.05 4.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 20.4 m-85 -109.12 156.07 20.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -58.73 -51.62 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -136.16 -172.83 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.17 40.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.92 44.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -132.77 155.12 49.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.4 t -118.62 17.19 13.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.1 OUTLIER -146.78 130.93 8.55 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.01 154.37 42.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 27.9 mm-40 -87.55 -52.0 5.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.5 169.02 16.52 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.435 1.085 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.4 p -149.16 120.25 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.04 118.43 32.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.491 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -64.57 106.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.647 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 7.1 mt -59.9 -43.5 94.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.04 56.18 4.2 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.55 43.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -133.08 170.59 15.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -134.25 107.07 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.426 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.58 102.83 9.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 12.0 mtmt -100.25 124.93 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.56 101.02 9.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 72' ' ' VAL . 20.6 mm -73.98 92.77 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.33 153.68 17.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 64' ' ' ASN . 24.1 m -86.74 179.64 6.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.643 ' H ' HG22 ' A' ' 63' ' ' THR . 1.2 t30 -40.66 159.74 0.14 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.11 2.16 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.537 1.809 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.1 27.04 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.93 176.08 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.93 127.55 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.94 136.68 24.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 168.91 12.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.788 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.6 m-85 -123.74 89.6 3.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ILE . 6.5 t -139.94 133.63 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -144.34 133.63 23.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 4.5 pt-20 -110.02 139.03 45.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -95.34 123.6 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.092 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.5 mt -105.13 122.74 42.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -75.07 167.28 27.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.57 160.3 32.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 41.42 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.527 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 2.1 p-90 -140.26 65.05 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -123.8 56.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 40.2 77.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.265 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -110.96 40.1 2.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? 69.51 7.78 6.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 ptm -143.11 138.26 29.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.67 166.34 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.95 55.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.12 169.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.464 ' CB ' HG13 ' A' ' 76' ' ' ILE . 11.2 p -113.89 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -92.96 91.52 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.445 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 91.0 t -73.67 103.02 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.5 mt -112.07 140.89 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.578 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 36.6 ttp -133.62 138.78 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.86 173.81 6.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.07 -53.21 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 52.6 p -113.12 155.92 24.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.501 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 61.6 tt0 -62.34 -43.89 97.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.49 -30.71 42.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.89 -52.93 9.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 29.8 ttp -57.88 -35.09 70.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.63 -45.64 82.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.477 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.6 tp10 -59.23 -59.72 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.634 ' CD1' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -48.42 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 108' ' ' ARG . 50.6 t -44.27 -56.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -60.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.512 ' CE1' HG22 ' A' ' 9' ' ' ILE . 25.8 m-85 -60.94 -53.49 56.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.51 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 104' ' ' VAL . 11.0 mtt180 -49.34 -47.39 47.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -49.16 -69.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.499 HG11 HD12 ' A' ' 53' ' ' LEU . 55.8 t -48.38 -49.93 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.79 -35.38 22.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 128.95 74.04 0.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.52 151.55 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.96 -178.39 41.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 84.69 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.8 m -146.28 -57.16 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.3 m -53.47 -59.42 4.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 p -140.92 -48.33 0.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.28 -52.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.9 165.7 54.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.11 96.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -127.56 131.65 49.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.54 -170.06 14.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.486 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 -167.63 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -125.97 -56.58 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 5.2 tttp -123.2 127.52 48.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.712 ' HG2' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.96 129.86 44.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.61 170.82 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.401 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 8.7 m95 -94.14 126.78 39.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.6 mt -127.59 145.57 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -84.43 104.36 14.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -96.16 125.93 41.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' CB ' ' HB ' ' A' ' 91' ' ' VAL . 6.7 tt0 -55.28 158.84 2.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -95.63 -178.78 4.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 m -78.31 -94.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.733 ' C ' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -102.18 95.25 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.733 HG12 ' C ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER 167.3 -30.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 64.0 67.16 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -128.73 155.01 45.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 88.9 m95 -103.18 107.29 18.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 108.049 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' NE2' HH12 ' A' ' 27' ' ' ARG . 7.9 mm-40 -98.92 110.0 22.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.03 97.9 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' CG ' ' HA ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -106.27 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -108.73 105.0 14.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.76 147.13 23.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.712 HG22 ' HG2' ' A' ' 11' ' ' MET . 3.3 t -140.38 132.77 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.851 HD21 ' CD1' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -96.65 142.83 28.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -132.3 -153.8 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.86 117.92 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' ALA . 42.5 mt-30 36.28 44.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 110.347 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.571 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 3.0 mt-30 -165.25 153.31 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.965 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.8 tm? -130.1 137.22 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.784 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.1 m-85 -130.35 165.56 22.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -157.9 128.51 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 22.5 m-85 -114.12 147.52 38.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' CG ' ' A' ' 27' ' ' ARG . 7.9 mttm -58.08 -40.71 81.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.97 -176.85 5.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.47 42.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.3 -58.21 1.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.07 169.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -114.15 -43.54 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -83.73 147.52 52.23 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.449 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.03 167.08 27.81 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -100.03 -38.96 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.29 166.16 25.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.2 p -142.5 126.73 17.55 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.67 133.97 49.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.16 106.46 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.965 HD21 ' HB2' ' A' ' 36' ' ' LEU . 15.9 mt -56.63 -44.1 99.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.5 Cg_endo -74.98 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.769 . . . . 0.0 111.049 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.08 0.45 8.91 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.651 ' SG ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -87.09 178.4 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.572 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.0 m -134.77 99.81 4.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.78 110.21 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' HG22 ' A' ' 57' ' ' THR . 18.1 mtmt -118.68 139.12 52.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -93.39 102.99 15.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 27.4 mm -68.97 134.79 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.34 146.84 38.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -70.77 -5.52 30.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.36 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.409 ' CG ' ' HD2' ' A' ' 65' ' ' PRO . 3.5 t30 -160.09 153.47 18.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 64' ' ' ASN . 18.3 Cg_endo -75.01 51.87 2.91 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -177.65 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.49 153.53 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.67 61.76 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.81 -46.22 0.25 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 131.54 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 5.2 m-85 -85.64 72.78 10.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.1 t -123.36 127.55 74.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' PHE . 11.4 p90 -144.5 131.08 19.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 5.9 pt-20 -107.39 151.37 25.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' SG ' ' A' ' 56' ' ' CYS . 7.0 mt -109.73 119.3 58.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.448 HG13 ' CB ' ' A' ' 89' ' ' SER . 2.7 mp -103.8 115.49 63.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.94 151.8 40.3 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.62 -39.06 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.7 t -57.03 -69.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.034 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 64.5 t90 46.45 90.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 108.002 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -49.42 136.97 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -112.01 133.57 54.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.118 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.46 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.09 88.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.0 ptm 38.34 43.29 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.9 -166.14 41.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 57.14 67.08 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -100.72 -56.86 2.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.448 ' CB ' HG13 ' A' ' 76' ' ' ILE . 39.8 p 52.32 175.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -103.72 91.19 3.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.433 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 64.5 t -72.28 102.71 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 75' ' ' ILE . 17.5 mt -112.26 137.89 49.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.561 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.8 OUTLIER -131.1 134.98 47.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.24 140.67 45.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -58.91 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.2 p -98.98 171.72 7.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.6 tt0 -81.53 -51.81 7.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.19 -28.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -76.17 -47.55 23.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.9 ttp -66.01 -33.64 76.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -68.58 -48.16 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 7.6 tp10 -58.46 -51.91 67.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.48 ' CD1' HD11 ' A' ' 14' ' ' LEU . 34.6 m95 -56.44 -63.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 17.8 t -46.32 -45.13 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.79 -63.13 1.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.435 ' HB3' HD13 ' A' ' 31' ' ' LEU . 15.8 m-85 -56.59 -42.62 78.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.05 -70.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.35 -39.73 57.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 6.1 ttt85 -55.06 -58.64 6.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.93 -40.64 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.49 -34.56 58.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 51.58 74.39 0.29 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.1 m -161.81 155.42 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 114.48 -170.17 13.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 105.11 2.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.71 166.94 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.1 p -80.05 116.91 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.94 144.55 31.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.97 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -179.13 114.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.72 116.41 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -145.54 162.04 38.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.969 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -167.03 112.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.923 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.83 -171.07 55.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.04 178.61 7.05 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.2 mt -114.67 -61.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HG2' ' CH2' ' A' ' 103' ' ' TRP . 7.9 tttp -124.24 134.63 53.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.439 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 mtm -133.75 122.51 23.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.66 166.48 39.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -84.87 128.84 34.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD11 ' CD1' ' A' ' 103' ' ' TRP . 19.7 mt -130.53 150.73 51.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 2.9 mtmt -86.07 138.09 32.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -136.33 116.59 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.518 ' OE1' ' CZ2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -43.06 155.37 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.264 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HB3' HG13 ' A' ' 21' ' ' VAL . 7.8 ttt-85 -90.28 -4.77 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.93 143.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mt 71.23 -63.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 18' ' ' ARG . 2.5 p -84.23 152.82 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.85 76.26 7.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -149.09 147.4 28.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.639 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 59.6 m95 -107.03 140.81 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -117.28 109.88 17.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.09 100.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -121.09 159.56 25.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -75.5 136.26 40.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.57 ' HD2' HD11 ' A' ' 36' ' ' LEU . 14.8 m-85 -131.23 118.91 21.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 HG22 ' CB ' ' A' ' 11' ' ' MET . 22.1 t -118.13 159.6 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.598 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -122.6 137.87 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -137.47 128.52 27.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.23 -102.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -126.41 62.77 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 20.1 mt-30 -162.29 148.24 13.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' HD2' ' A' ' 29' ' ' PHE . 2.5 tm? -111.55 117.31 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 27.9 m-85 -117.01 161.76 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.607 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -151.93 132.06 13.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -113.49 149.55 34.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 1.5 mmtt -57.91 -43.28 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -162.58 166.6 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -33.8 14.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.51 -59.77 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.25 141.64 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.4 p -113.17 -36.3 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.442 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -83.32 139.18 41.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.0 130.47 13.3 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.455 1.766 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -70.95 -87.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.56 31.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.6 p -150.22 125.86 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.406 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -120.5 128.6 53.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -76.27 106.97 8.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.652 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 6.9 mt -58.68 -43.56 98.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 55.53 4.0 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.78 44.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.439 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.7 170.72 14.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.566 HG22 ' CG ' ' A' ' 59' ' ' LYS . 1.3 m -130.7 107.59 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.3 mp -84.31 109.22 17.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' CG ' HG22 ' A' ' 57' ' ' THR . 3.1 mtmt -118.21 127.74 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -82.65 105.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.42 HD11 ' CD ' ' A' ' 74' ' ' GLU . 32.6 mm -68.29 119.62 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.48 147.81 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 63' ' ' THR . 2.3 m -81.59 4.53 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.397 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.89 167.75 0.23 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.54 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.64 -42.52 58.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -60.96 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 54.9 91.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.06 -49.25 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -54.95 142.58 29.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.767 . . . . 0.0 109.369 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 -79.45 88.24 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG22 ' SD ' ' A' ' 93' ' ' MET . 34.1 t -137.34 144.14 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -163.57 140.13 6.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' CD ' HD11 ' A' ' 61' ' ' ILE . 5.1 pt-20 -115.12 144.46 43.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 92' ' ' LEU . 3.5 mt -103.65 129.49 55.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.495 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.0 mp -109.29 122.7 38.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.439 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.04 159.74 40.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.72 154.97 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.48 74.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' CD1' ' HB3' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -173.52 168.17 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.999 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER 75.54 115.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? 174.79 -54.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -57.95 169.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -117.09 48.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.83 85.39 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.94 -166.1 24.97 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.21 -55.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 80' ' ' TRP . 57.8 m-20 61.37 81.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.428 ' CB ' HG13 ' A' ' 76' ' ' ILE . 74.8 p -175.8 177.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -109.21 91.25 3.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.639 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 84.8 t -70.92 99.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 75' ' ' ILE . 15.2 mt -109.25 149.22 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.508 ' HE1' ' CE2' ' A' ' 24' ' ' TRP . 18.0 ttp -140.51 143.3 35.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -115.55 146.38 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.3 m -95.77 38.49 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.2 t 179.83 139.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.974 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 40.0 tt0 -63.03 -48.36 79.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.8 -29.75 68.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.03 -52.73 11.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.618 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 21.5 ttp -61.85 -34.09 75.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -68.98 -50.38 49.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.444 ' HG2' ' CE ' ' A' ' 10' ' ' LYS . 1.4 tp10 -55.3 -51.11 67.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.668 ' CD1' HD11 ' A' ' 14' ' ' LEU . 45.7 m95 -57.26 -68.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.5 t -43.96 -45.72 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.4 -60.28 3.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -60.65 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.46 -67.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -44.78 56.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -55.17 -70.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 90.5 t -47.51 -51.4 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.07 -41.96 48.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.89 -66.9 0.48 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 t -39.42 104.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.08 -166.14 28.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 151.71 39.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.9 p -63.23 159.29 18.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.44 111.58 21.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.28 -58.2 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -156.82 157.92 35.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.16 89.82 0.94 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -79.82 -68.87 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -148.71 140.55 23.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.54 -171.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.15 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -74.97 -169.99 0.71 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.482 1.78 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.9 mt -106.49 -68.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -128.81 136.52 50.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.9 143.14 50.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.82 165.53 35.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -97.88 123.98 42.09 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 103' ' ' TRP . 64.8 mt -124.41 145.92 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -89.75 112.19 23.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -96.29 142.28 28.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.17 130.08 35.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.536 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -76.56 164.41 25.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.5 p -74.23 136.48 42.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.5 mt 66.01 -84.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG13 ' HB3' ' A' ' 18' ' ' ARG . 7.7 p -49.48 120.91 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -80.31 68.7 6.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.02 139.79 53.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.677 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 95.3 m95 -88.91 140.61 29.27 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' CG ' ' NH1' ' A' ' 27' ' ' ARG . 11.4 tp60 -122.91 113.09 18.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.5 105.4 4.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.341 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -121.45 167.69 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 42' ' ' GLU . 2.3 t80 -100.6 105.55 16.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.744 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -95.51 135.64 36.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.2 t -127.48 145.88 34.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.525 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -109.88 130.18 55.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -150.57 143.49 24.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 43.0 -139.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' HA ' HG11 ' A' ' 110' ' ' VAL . 23.5 mt-30 -103.8 44.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -152.27 141.8 21.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.858 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.1 tm? -99.79 129.03 45.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' N ' HD13 ' A' ' 36' ' ' LEU . 11.1 m-85 -122.51 162.86 20.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -159.93 132.26 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.3 m-85 -117.13 150.45 38.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -54.16 -25.67 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -165.31 -172.88 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -103.34 43.9 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.12 24.39 2.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -120.46 -176.32 3.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 28.4 p -127.91 -46.27 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.85 139.25 27.62 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 150.4 38.07 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.434 1.755 . . . . 0.0 110.972 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 38' ' ' TYR . 2.7 mm-40 -79.36 -46.5 17.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.06 171.55 19.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 30.1 p -150.61 127.5 11.05 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.18 145.29 47.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -91.37 106.94 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.8 mt -63.93 -44.13 77.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.03 65.65 6.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 138.63 42.83 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -127.56 160.29 32.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -118.83 111.74 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.433 HG21 HG13 ' A' ' 104' ' ' VAL . 1.4 mp -85.56 99.09 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.505 ' HD2' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mttt -92.72 132.08 37.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -95.06 84.81 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.629 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.3 mm -68.05 132.43 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.91 153.83 28.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.7 m -75.08 -1.05 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.48 166.0 0.23 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.68 8.05 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.499 1.789 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -90.78 -64.39 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -40.46 136.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' LYS . . . -44.43 137.49 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.67 93.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -51.77 151.09 3.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 1.5 m-85 -73.98 68.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.437 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.6 t -137.73 122.01 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 19.5 p90 -138.06 141.08 40.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' ' 76' ' ' ILE . 3.6 pt-20 -114.28 132.52 56.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 mt -90.6 125.69 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.505 ' CD1' ' HD2' ' A' ' 59' ' ' LYS . 4.0 mt -108.75 122.04 41.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.496 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -74.96 81.23 2.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 47.23 -173.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.6 p -41.04 113.13 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' CZ2' ' HA ' ' A' ' 88' ' ' ASP . 87.8 t90 -124.61 105.3 9.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 108.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.42 48.96 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' ARG . 4.4 mt-30 42.84 -99.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 65.7 t30 68.29 -67.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.148 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -179.46 42.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 30.6 mtp -144.74 134.28 23.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.37 170.31 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.15 -32.52 10.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.536 ' HA ' ' CZ2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER 176.49 171.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.466 ' CB ' HG13 ' A' ' 76' ' ' ILE . 32.5 p -58.3 179.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -99.6 90.73 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' C ' HD23 ' A' ' 92' ' ' LEU . 62.0 t -74.37 99.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.3 mt -109.78 138.16 46.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.677 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 29.2 ttp -126.73 138.28 53.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -106.53 138.89 41.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 53.0 p -60.77 -49.71 76.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -109.26 -176.01 2.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 44.4 tt0 -92.9 -51.97 4.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.91 -25.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.25 -53.85 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.448 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 34.5 ttp -56.62 -38.14 71.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -61.4 -55.08 35.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 1.8 tp10 -56.83 -41.02 77.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 14' ' ' LEU . 9.7 m95 -62.63 -64.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 107.996 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.433 HG13 HG21 ' A' ' 58' ' ' ILE . 77.6 t -51.65 -46.24 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -64.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 22.3 m-85 -60.06 -55.95 27.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.5 mt -42.6 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -53.35 -50.87 64.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -71.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.564 HG11 HD12 ' A' ' 53' ' ' LEU . 49.6 t -50.0 -53.0 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . -50.5 -26.87 5.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . 62.39 86.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.02 107.64 1.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.007 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 113.22 -172.46 14.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 142.35 27.89 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 80.2 p -136.91 118.99 15.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.995 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.97 121.17 8.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 m -146.15 154.9 42.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -108.68 93.88 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.04 91.91 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.3 t -176.22 92.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 0.749 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.3 p -72.99 133.26 44.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.69 -171.11 18.4 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.2 Cg_endo -75.01 -170.53 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 20.5 mt -124.35 -60.75 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 2.2 tmtm? -126.08 126.43 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.1 146.38 51.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' TYR . . . 176.21 -153.55 14.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -123.01 156.24 35.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 6.7 mt -155.55 139.64 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -81.34 109.52 15.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -101.62 124.32 47.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.39 142.61 54.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.618 ' HB3' HG13 ' A' ' 21' ' ' VAL . 23.9 ttt180 -85.53 163.55 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 m -74.19 135.28 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.7 mt 66.42 -81.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.618 HG13 ' HB3' ' A' ' 18' ' ' ARG . 7.2 p -50.59 123.18 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.81 73.12 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -136.79 135.46 38.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.72 ' CH2' HG12 ' A' ' 91' ' ' VAL . 59.0 m95 -87.46 134.54 33.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HG2' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -118.12 119.05 33.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 109.54 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 8.8 mmt-85 -124.29 177.29 5.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -99.89 133.4 44.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 15.1 m-85 -125.86 132.57 52.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.6 t -128.11 143.19 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.54 113.1 21.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -93.9 -73.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -174.36 129.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 42.15 30.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 7.1 mt-30 -164.23 136.4 4.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.801 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.7 tm? -109.9 123.06 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.496 ' N ' HD13 ' A' ' 36' ' ' LEU . 46.8 m-85 -117.16 158.71 23.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -156.08 129.74 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -104.78 147.79 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 15.0 mttt -54.84 -47.32 74.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.89 -176.53 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -96.6 45.55 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -125.87 -58.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 167.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' THR . 13.2 t -126.09 51.17 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.4 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.19 142.29 4.85 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.69 17.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -113.09 -72.54 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.09 21.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.8 p -150.47 118.2 6.18 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.11 123.32 49.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 108.8 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.801 HD21 ' HB2' ' A' ' 36' ' ' LEU . 21.6 mt -59.37 -43.22 96.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 57.41 4.55 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.3 43.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.47 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 2.9 m -136.37 170.28 16.3 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.486 HG22 ' CD ' ' A' ' 59' ' ' LYS . 5.1 m -130.6 110.88 11.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -89.96 102.44 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.486 ' CD ' HG22 ' A' ' 57' ' ' THR . 23.8 mtpt -107.81 148.92 28.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -94.47 124.6 38.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.006 HD11 ' OE2' ' A' ' 74' ' ' GLU . 8.8 mm -103.95 147.72 9.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.61 153.66 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.9 m -99.58 137.16 38.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.08 167.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -17.94 19.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.773 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.79 84.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.67 42.44 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.13 55.74 8.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 56.34 -167.4 3.79 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -173.86 153.7 2.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 13.7 m-85 -88.86 65.07 7.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.547 HG22 ' SD ' ' A' ' 93' ' ' MET . 40.7 t -128.16 151.01 34.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -160.36 145.5 14.77 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 1.006 ' OE2' HD11 ' A' ' 61' ' ' ILE . 1.6 pm0 -117.77 142.32 47.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.68 121.99 57.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.464 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.5 mt -105.55 127.79 27.81 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.47 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.0 168.77 24.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 80' ' ' TRP . . . -66.49 -68.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -58.21 85.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 174.13 60.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.69 -50.91 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.55 84.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -170.33 142.55 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -101.09 43.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmt -145.46 -62.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 62.8 109.87 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -170.78 -53.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.37 128.19 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 p 179.17 -174.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -101.96 91.73 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.72 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.7 t -79.68 98.13 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 12.6 mt -106.26 150.95 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.547 ' SD ' HG22 ' A' ' 72' ' ' VAL . 17.7 ttp -139.95 137.78 35.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.81 164.09 12.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.78 -51.06 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -115.49 160.51 19.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 52.4 tt0 -64.74 -49.82 69.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.79 -33.48 3.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.05 -54.46 8.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.467 ' SD ' HG21 ' A' ' 104' ' ' VAL . 17.6 tmm? -57.32 -38.51 74.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.087 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.82 -43.05 99.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 3.7 tp10 -62.76 -57.24 11.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 40.4 m95 -53.71 -67.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 107.976 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.6 t -41.82 -51.99 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 5.4 ttpp -44.86 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 27.9 m-85 -55.34 -47.72 75.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.4 mt -55.32 -70.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 1.2 mtt-85 -53.14 -55.96 20.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.0 OUTLIER -38.42 -56.51 1.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.551 HG11 HD12 ' A' ' 53' ' ' LEU . 93.5 t -64.23 -54.48 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . -50.27 -22.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -134.16 52.72 0.8 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.02 127.61 33.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 0.728 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.11 -172.77 13.54 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.09 33.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -92.7 143.68 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.1 t -86.15 139.32 31.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.972 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 111.038 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -64.47 160.51 19.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 0.804 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.53 -59.78 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.71 -79.69 0.46 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m 63.39 87.64 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 0.788 . . . . 0.0 110.041 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.65 78.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.03 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.67 -170.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -74.94 -169.81 0.68 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 mt -108.95 -72.64 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 5.5 tmtm? -124.04 133.13 53.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.29 144.83 51.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.99 172.94 45.56 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.145 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.9 m95 -103.1 125.63 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.778 HD21 ' CD1' ' A' ' 103' ' ' TRP . 7.4 mt -124.77 144.49 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -83.59 105.67 14.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' NZ ' ' CZ ' ' A' ' 38' ' ' TYR . 24.9 tttt -99.84 129.52 45.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -53.97 124.14 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.473 ' HB3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.45 173.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 p -42.22 -87.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -141.0 60.38 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 23' ' ' ASN . 1.7 m -125.92 11.75 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 43.69 51.51 6.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.587 ' HB2' HG23 ' A' ' 21' ' ' VAL . 64.7 t30 -136.81 170.76 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.66 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 89.3 m95 -114.37 123.14 48.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -111.09 118.74 36.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.86 113.92 8.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 110.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -122.76 165.75 16.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.507 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.6 t80 -100.51 104.19 15.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.826 ' HD2' HD11 ' A' ' 36' ' ' LEU . 28.1 m-85 -93.1 134.65 35.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -130.55 152.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD12 HD23 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -126.09 126.02 43.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -118.62 -79.01 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.46 -150.23 0.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.518 ' HA ' HG11 ' A' ' 110' ' ' VAL . 32.1 mt-30 -74.76 56.05 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -165.0 145.71 7.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.4 tm? -99.64 123.05 43.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 32' ' ' ARG . 47.6 m-85 -110.71 154.47 23.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.562 ' CZ ' ' NZ ' ' A' ' 16' ' ' LYS . 1.5 p90 -159.67 127.62 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 6.1 m-85 -119.6 135.98 54.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -23.63 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -160.62 171.21 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.91 49.33 1.02 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -120.68 -69.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 160.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.1 p -113.86 39.82 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.3 OUTLIER -144.23 130.27 9.91 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.1 Cg_endo -75.05 113.82 3.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -47.67 -24.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.43 37.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.2 p -141.69 133.2 26.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.89 122.42 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -67.41 107.72 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 36' ' ' LEU . 28.3 mt -62.12 -43.17 85.27 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 54.98 3.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.519 1.799 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.69 43.64 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -132.79 172.27 12.79 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 59' ' ' LYS . 1.1 m -134.47 110.52 9.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.47 103.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HD3' HD13 ' A' ' 76' ' ' ILE . 12.8 mtpp -110.99 141.44 44.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -87.74 91.59 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.543 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.9 mm -73.37 119.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.25 152.68 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -103.81 162.77 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 55.19 169.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -29.58 8.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.792 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -117.47 -74.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.75 -156.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.15 46.92 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 43.92 95.4 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 38.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 9.0 m-85 42.77 80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 93' ' ' MET . 49.8 t -138.24 124.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -142.59 138.24 30.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.3 pt-20 -117.99 145.08 44.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 mt -103.95 132.68 49.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.561 HD13 ' HD3' ' A' ' 59' ' ' LYS . 2.2 mp -110.69 126.94 27.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.97 163.49 35.28 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.9 -63.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.75 100.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.546 ' CZ3' ' HA ' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -174.71 72.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.044 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -129.18 102.59 6.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -178.28 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -67.06 143.43 56.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.55 -10.81 18.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.9 ptm -158.53 37.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -145.24 150.43 22.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HA ' ' CZ3' ' A' ' 80' ' ' TRP . 1.3 tt0 -170.49 82.12 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 87' ' ' GLN . 16.9 t70 -40.29 -57.38 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.424 ' CB ' HG13 ' A' ' 76' ' ' ILE . 84.1 p 53.01 172.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -100.32 90.59 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.029 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.66 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 53.2 t -72.0 101.24 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 18.5 mt -109.29 138.09 46.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.9 OUTLIER -132.44 121.02 22.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.26 159.14 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.2 p -81.96 -42.72 19.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 m -124.57 145.77 49.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 23.4 tt0 -51.71 -47.45 63.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.15 -48.36 12.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.67 -40.69 88.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.0 ttp -69.16 -59.91 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -39.99 -56.21 1.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 106' ' ' PHE . 1.0 OUTLIER -59.65 -49.74 76.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.778 ' CD1' HD21 ' A' ' 14' ' ' LEU . 6.5 m95 -53.72 -71.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 103' ' ' TRP . 41.2 t -40.39 -50.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -47.19 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 10' ' ' LYS . 16.2 m-85 -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.5 mt -52.75 -70.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 112' ' ' GLY . 6.0 mtt180 -51.15 -50.92 58.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -38.22 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' ' 34' ' ' GLN . 54.0 t -50.42 -51.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.53 -28.7 14.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -128.85 52.8 0.82 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.0 t -62.0 112.21 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.756 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 54.78 -170.62 1.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.78 40.98 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -77.62 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.25 88.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.102 . . . . 0.0 111.04 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.8 -55.56 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.47 116.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.59 166.33 12.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.93 81.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.71 -39.77 43.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.82 -171.15 24.42 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.573 1.171 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.2 Cg_endo -75.01 -169.8 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.798 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' A' ' 106' ' ' PHE . 5.2 mt -120.81 -63.32 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -125.13 141.48 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.757 ' HG2' HG22 ' A' ' 30' ' ' VAL . 29.7 mtm -140.14 141.8 36.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.66 173.81 46.08 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -99.1 117.12 32.88 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD11 ' CD1' ' A' ' 103' ' ' TRP . 26.3 mt -117.32 151.05 37.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.52 118.75 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -104.2 127.77 51.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.632 ' NE2' HG11 ' A' ' 91' ' ' VAL . 0.1 OUTLIER -60.0 127.94 34.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.534 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -81.92 166.95 19.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -96.06 145.32 25.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt 70.78 -75.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG13 ' HB3' ' A' ' 18' ' ' ARG . 1.6 p -58.23 -17.01 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 21' ' ' VAL . 2.6 mptt 38.99 64.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' HB2' HG22 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -122.0 171.51 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' CE3' ' HE2' ' A' ' 93' ' ' MET . 88.9 m95 -100.84 102.28 13.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 108.015 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -94.91 117.71 30.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' OE1' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -69.03 122.64 19.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 10.7 mmp_? -134.86 156.35 49.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.62 100.9 13.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.962 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 20.0 m-85 -89.79 141.66 28.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.757 HG22 ' HG2' ' A' ' 11' ' ' MET . 19.3 t -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -108.99 112.45 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -126.46 127.22 45.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 48.2 -138.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -98.07 44.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 18.5 mt-30 -150.9 136.62 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -100.24 124.59 45.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 26.2 m-85 -119.57 164.97 15.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -159.61 128.48 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.045 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 12.9 m-85 -112.15 166.72 11.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -40.45 88.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 5.0 p30 -154.21 -175.28 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.17 37.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.432 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -138.9 36.2 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -126.92 155.23 43.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.9 t -114.38 -7.59 12.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 0.0 OUTLIER -128.58 140.48 38.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.5 Cg_endo -74.92 165.12 32.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.525 1.803 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.489 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 7.7 mm-40 -99.31 -50.81 3.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.34 127.8 4.11 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.1 p -106.07 140.02 39.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -129.52 115.39 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -63.14 104.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 36' ' ' LEU . 20.3 mt -57.98 -43.68 98.71 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.05 54.79 3.77 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 155.9 43.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.44 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.3 m -132.91 170.45 15.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.0 m -133.93 109.4 9.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.01 121.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.631 ' HD3' HD12 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -127.81 150.48 49.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -96.32 82.38 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.1 mm -67.89 99.38 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.76 153.13 26.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 64' ' ' ASN . 58.8 m -61.05 -121.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.42 ' N ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -45.8 159.9 0.3 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.54 15.74 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.431 1.753 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -116.97 51.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -148.22 150.46 33.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.99 92.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -168.8 -57.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.438 1.087 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.97 116.34 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 0.769 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 12.3 m-85 -82.82 96.43 8.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -135.47 141.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 10.8 p90 -149.27 141.54 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 59' ' ' LYS . 1.2 pt-20 -117.59 145.77 44.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.78 129.57 61.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.631 HD12 ' HD3' ' A' ' 59' ' ' LYS . 3.4 mt -111.88 121.98 38.24 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.07 150.13 37.42 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.53 124.38 9.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.0 t 60.44 74.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.499 ' O ' ' CD2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -44.99 113.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.032 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -149.37 170.3 18.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -94.61 99.11 11.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -149.08 90.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? 38.88 36.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 mtt -155.94 87.44 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 40.91 -151.46 0.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.77 38.74 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -172.28 -67.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.44 ' CB ' HG13 ' A' ' 76' ' ' ILE . 20.5 p -174.09 -177.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.5 OUTLIER -105.73 90.76 3.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG11 ' NE2' ' A' ' 17' ' ' GLN . 81.4 t -76.5 103.07 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 91' ' ' VAL . 14.2 mt -112.02 147.29 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.523 ' HE2' ' CE3' ' A' ' 24' ' ' TRP . 31.3 ttp -133.08 142.05 48.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.43 162.82 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.9 m -80.73 -56.75 3.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.0 m -108.36 153.55 23.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.0 tt0 -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.05 -30.71 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.75 -49.73 17.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.09 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 32.6 ttp -62.61 -35.72 80.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.06 -43.32 87.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -66.7 -55.59 14.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.703 ' HZ3' HD12 ' A' ' 31' ' ' LEU . 7.8 m95 -50.0 -55.17 15.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -59.19 -49.48 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -41.21 -61.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.726 ' CD1' HG21 ' A' ' 9' ' ' ILE . 36.7 m-85 -63.54 -53.77 46.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 mt -44.86 -69.95 0.12 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.13 -52.65 33.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' GLY . 11.3 ttm180 -41.79 -70.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.54 HG11 HD12 ' A' ' 53' ' ' LEU . 53.4 t -46.23 -52.25 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.43 -34.04 46.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 109' ' ' ARG . . . -55.9 -54.21 36.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.562 1.164 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.54 77.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 45.19 -168.48 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 143.91 29.77 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.7 p -54.64 102.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 59.0 m -108.38 148.29 30.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.028 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.76 -62.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.009 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.47 95.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.63 69.59 0.45 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 158.24 35.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.032 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -56.82 165.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.1 -171.01 45.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.02 -166.19 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG22 ' CE1' ' A' ' 106' ' ' PHE . 5.7 mm -119.46 -60.01 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -133.89 135.94 43.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.84 128.9 43.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.45 169.33 40.49 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.478 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 6.7 m95 -98.7 115.55 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 103' ' ' TRP . 52.0 mt -118.24 145.94 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -84.7 125.28 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -112.84 129.41 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.26 147.12 52.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.701 ' HB2' HG13 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -96.42 -174.75 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.4 p -98.08 128.21 44.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mm 73.23 -68.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 18' ' ' ARG . 8.1 p -55.15 -19.35 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 21' ' ' VAL . 7.6 mptt 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -94.2 141.99 27.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.502 ' CD2' ' CE ' ' A' ' 93' ' ' MET . 96.0 m95 -82.47 121.29 26.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 108.028 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -114.4 112.79 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 103.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.67 151.59 34.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 3.9 t80 -83.97 98.68 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.629 ' HD2' HD11 ' A' ' 36' ' ' LEU . 21.8 m-85 -87.53 132.41 34.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.7 t -126.92 145.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -110.61 119.21 38.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HB2' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -129.9 119.11 22.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 45.45 -142.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -86.41 57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 8.6 mt-30 -164.2 145.81 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.929 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.0 tm? -116.61 119.83 36.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' N ' HD13 ' A' ' 36' ' ' LEU . 5.5 m-85 -114.49 164.16 14.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -158.69 126.51 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.4 m-85 -116.21 129.72 56.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -24.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -149.66 168.25 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' HB3' ' CD2' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -103.92 50.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.296 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.2 -58.17 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.03 164.24 18.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.1 t -111.53 2.05 17.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 126.57 32.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.453 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.05 141.69 26.79 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -77.61 -40.66 41.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.26 169.82 23.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p -149.02 136.75 20.48 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.97 130.96 40.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -83.1 106.86 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.929 HD21 ' HB2' ' A' ' 36' ' ' LEU . 17.7 mt -55.1 -44.5 99.65 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 94.09 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 118.4 33.5 1.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 19.9 m -128.67 174.87 9.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 HG22 ' HG3' ' A' ' 59' ' ' LYS . 2.6 m -134.12 111.8 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.45 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.615 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -82.14 103.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HE3' HD11 ' A' ' 76' ' ' ILE . 4.2 mtmt -103.4 144.95 30.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -102.52 115.32 30.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.837 HD11 ' OE2' ' A' ' 74' ' ' GLU . 14.0 mm -83.93 107.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.01 153.79 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.54 HG22 ' H ' ' A' ' 64' ' ' ASN . 89.8 m -92.29 175.04 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.386 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.54 ' H ' HG22 ' A' ' 63' ' ' THR . 1.1 t30 -41.46 159.8 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.27 2.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -95.68 34.5 1.48 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.92 171.92 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.97 150.75 33.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.51 140.54 24.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.8 138.45 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 21.1 m-85 -104.11 94.04 5.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG22 ' HG3' ' A' ' 93' ' ' MET . 19.9 t -133.24 144.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -154.99 137.95 15.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.837 ' OE2' HD11 ' A' ' 61' ' ' ILE . 4.8 pm0 -111.51 145.1 39.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.53 HD11 HD12 ' A' ' 92' ' ' LEU . 3.8 mt -103.69 109.83 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.472 HD11 ' HE3' ' A' ' 59' ' ' LYS . 2.7 mp -86.93 130.34 48.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -74.96 161.22 39.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -53.56 -53.87 45.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.1 p -86.81 147.4 25.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 80' ' ' TRP . 1.6 p90 -168.51 54.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -139.89 -63.26 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.13 76.91 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -171.36 169.25 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -117.71 59.2 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.9 mmt -135.55 119.75 17.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 -78.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -109.67 54.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 0.735 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -41.44 107.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p -174.18 160.48 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.447 ' HH ' ' HE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -93.12 91.5 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 111.001 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.8 t -75.55 99.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD12 HD11 ' A' ' 75' ' ' ILE . 13.8 mt -107.99 151.84 25.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.502 ' CE ' ' CD2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -140.27 134.77 31.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.04 165.35 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.2 t -81.07 -48.38 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.7 m -114.07 165.36 12.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.556 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 59.3 tt0 -74.0 -49.46 24.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.87 -26.64 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -79.65 -49.61 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' VAL . 31.6 ttp -64.59 -34.16 77.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.12 -43.96 85.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -56.33 19.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.738 ' CD1' HD11 ' A' ' 14' ' ' LEU . 38.7 m95 -49.42 -64.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 58' ' ' ILE . 53.9 t -43.51 -56.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.88 -61.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.472 ' CE1' HG22 ' A' ' 9' ' ' ILE . 28.4 m-85 -59.1 -55.12 39.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.59 -64.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -52.41 -46.72 66.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -47.61 -62.64 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 106' ' ' PHE . 19.4 t -59.99 -46.47 94.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 53' ' ' LEU . . . -57.68 -22.63 47.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -64.61 -61.6 5.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.51 146.59 9.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 155.06 178.76 29.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.553 1.158 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.55 9.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.71 167.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.0 m -52.54 154.03 2.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.428 1.08 . . . . 0.0 110.998 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -168.1 145.81 4.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 0.795 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -152.07 80.64 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.22 -109.15 2.63 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -171.85 126.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 0.775 . . . . 0.0 109.964 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -112.87 70.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.41 -171.05 49.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.3 Cg_endo -75.04 -165.13 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.961 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.731 HD12 ' O ' ' A' ' 32' ' ' ARG . 57.9 mt -122.11 -49.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' CZ3' ' A' ' 103' ' ' TRP . 9.8 tttp -141.06 138.49 33.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.9 mtm -132.12 132.44 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.31 165.25 36.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -92.67 126.26 37.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 103' ' ' TRP . 4.8 mt -125.77 157.46 37.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -97.33 103.7 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -91.47 117.81 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 27.7 tt0 -75.54 134.0 40.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -175.34 0.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' VAL . 64.5 m -99.31 141.34 32.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.9 mt 68.77 -68.26 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' SER . 7.2 p -63.03 137.14 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 76.45 6.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 23.3 p30 -132.43 161.5 33.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.563 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 79.3 m95 -126.92 124.56 39.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.79 114.63 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.63 103.13 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -116.86 176.01 5.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -100.38 102.94 14.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.539 ' HD2' HD11 ' A' ' 36' ' ' LEU . 11.0 m-85 -87.26 135.12 33.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.8 122.77 55.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.85 HD12 HD23 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -96.82 143.49 27.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.731 ' O ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -129.82 -151.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . -81.73 119.88 24.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.497 ' HA ' HG11 ' A' ' 110' ' ' VAL . 50.3 mt-30 37.19 44.44 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.561 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 4.5 mt-30 -165.33 151.09 9.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.85 HD23 HD12 ' A' ' 31' ' ' LEU . 3.1 tm? -126.94 141.8 51.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.657 ' N ' HD13 ' A' ' 36' ' ' LEU . 1.6 m-85 -137.74 165.61 25.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -159.65 126.96 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.015 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CE2' ' HA ' ' A' ' 47' ' ' PRO . 41.9 m-85 -113.31 166.58 11.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -69.58 -40.93 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.62 -176.88 5.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.15 46.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.331 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.63 -46.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 0.0 110.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.3 172.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 61.8 p -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -65.97 132.05 94.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.597 ' HA ' ' CE2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.03 156.16 42.85 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -91.06 -39.87 11.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.98 172.8 29.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.7 p -144.43 137.82 27.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.456 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -130.89 128.96 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' ' HG2' ' A' ' 54' ' ' PRO . 0.7 OUTLIER -79.35 113.58 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.1 mt -63.89 -41.59 64.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.686 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.0 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.686 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 108.54 12.47 21.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 111' ' ' ALA . 15.3 p -89.09 166.15 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' ' 59' ' ' LYS . 1.2 m -134.54 100.53 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 HG21 HG13 ' A' ' 104' ' ' VAL . 1.2 mp -83.61 115.78 26.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' HG3' HG22 ' A' ' 57' ' ' THR . 12.9 mtmt -119.7 120.99 38.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.66 111.81 10.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.1 mm -86.57 143.92 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.32 153.04 33.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 64' ' ' ASN . 29.7 m -85.2 -126.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' H ' HG22 ' A' ' 63' ' ' THR . 1.2 t30 -59.41 158.99 18.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.46 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -55.49 9.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -42.44 164.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.87 45.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 54.85 174.44 0.1 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 167.74 20.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 8.6 m-85 -83.46 63.04 7.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -120.04 132.86 68.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -143.01 139.48 30.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.1 pt-20 -113.3 137.24 51.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -100.5 126.48 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.465 HG13 ' CB ' ' A' ' 89' ' ' SER . 3.1 mt -105.59 126.44 30.79 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 156.17 43.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -73.42 65.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.62 83.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -150.99 120.43 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.62 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER -79.57 134.63 36.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 82' ' ' GLN . 10.8 p30 46.15 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CG ' ' OD2' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -157.98 30.28 0.26 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.5 mtp -110.64 150.35 29.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.29 -96.22 0.95 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.136 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -131.62 66.87 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' OD2' ' CG ' ' A' ' 84' ' ' ARG . 1.3 m-20 -40.9 -52.32 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.465 ' CB ' HG13 ' A' ' 76' ' ' ILE . 63.1 p -159.29 -178.0 6.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' OH ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -105.68 91.13 3.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.419 ' C ' HD23 ' A' ' 92' ' ' LEU . 19.3 t -76.6 96.23 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 11.0 mt -104.61 145.83 29.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.563 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 32.3 ttp -132.54 142.02 49.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -114.02 150.55 33.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.15 -52.39 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -106.12 -174.25 2.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 53.3 tt0 -95.78 -46.8 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.01 -30.96 11.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -77.2 -46.79 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.531 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 32.0 ttp -63.34 -36.63 84.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.053 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.92 -41.81 95.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' OE2' ' CE ' ' A' ' 105' ' ' LYS . 9.0 tp10 -67.83 -47.07 70.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HG2' ' A' ' 10' ' ' LYS . 11.5 m95 -54.5 -61.1 2.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 107.965 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 58' ' ' ILE . 39.4 t -51.89 -46.86 41.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' CE ' ' OE2' ' A' ' 102' ' ' GLU . 11.6 ttpp -43.94 -67.72 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.543 ' CD1' ' CG2' ' A' ' 9' ' ' ILE . 28.4 m-85 -55.56 -57.71 10.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 103' ' ' TRP . 9.6 mt -44.31 -68.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.508 ' HG2' HD13 ' A' ' 58' ' ' ILE . 3.6 mtt180 -54.89 -53.99 48.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.421 ' CB ' ' O ' ' A' ' 105' ' ' LYS . 0.1 OUTLIER -37.71 -72.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.497 HG11 ' HA ' ' A' ' 34' ' ' GLN . 58.0 t -46.42 -47.74 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB2' ' SG ' ' A' ' 56' ' ' CYS . . . -54.1 -36.91 63.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 109' ' ' ARG . . . -121.3 51.06 0.8 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 82.6 p -103.59 155.39 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 124.75 -168.88 16.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.03 3.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.3 m -143.75 149.39 37.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.941 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 35.7 p -133.97 -57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.065 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.59 157.97 44.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.4 p -55.11 170.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.055 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.14 179.79 16.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -135.39 -56.78 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.68 160.26 22.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.3 173.58 0.88 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 178.97 6.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.478 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 9.2 mt -102.57 -60.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' C ' ' SD ' ' A' ' 11' ' ' MET . 4.4 tttt -123.15 142.25 51.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.501 ' CG ' HG22 ' A' ' 30' ' ' VAL . 3.8 mpp? -147.53 144.69 28.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.94 162.89 29.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 12.8 m95 -91.87 113.39 25.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 103' ' ' TRP . 24.1 mt -113.61 172.93 6.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.52 111.44 22.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 tttm -104.36 126.83 51.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 159.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.353 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.903 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -93.87 172.77 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.447 ' O ' HG12 ' A' ' 21' ' ' VAL . 46.4 m -67.26 97.93 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 mm 72.26 -66.92 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 18' ' ' ARG . 2.3 p -43.27 129.73 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 70.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -133.85 139.79 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 85.3 m95 -99.54 133.68 43.52 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -113.76 118.58 34.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -76.77 97.42 4.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' CD ' ' HA ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -114.17 165.4 12.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 2.6 t80 -96.71 106.3 18.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.528 ' HD2' HD11 ' A' ' 36' ' ' LEU . 26.2 m-85 -92.3 140.91 29.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.953 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG22 ' CG ' ' A' ' 11' ' ' MET . 20.4 t -131.08 135.21 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -105.47 107.08 17.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 74.1 ttt180 -127.25 146.07 50.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 39.66 -143.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -98.15 39.87 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.2 mt-30 -146.07 138.26 25.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.901 ' HB2' HD21 ' A' ' 53' ' ' LEU . 1.9 tm? -100.93 125.23 47.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.628 ' N ' HD13 ' A' ' 36' ' ' LEU . 8.3 m-85 -119.62 163.89 16.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -158.67 128.76 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -112.33 138.68 48.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HA ' ' CD ' ' A' ' 27' ' ' ARG . 4.4 mttp -48.09 -44.95 32.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.77 -176.8 3.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -116.01 57.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -142.93 -49.53 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.39 177.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.1 t -131.9 6.83 4.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 110.417 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.64 129.81 23.77 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 156.84 43.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -99.54 -57.42 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -131.03 145.59 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.9 p -124.72 136.37 53.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.73 119.93 31.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.4 t80 -66.21 105.61 1.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 36' ' ' LEU . 53.7 mt -59.72 -43.47 95.31 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 56.29 4.23 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 157.3 42.75 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.436 1.085 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 3.5 m -135.03 170.81 15.34 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.502 ' O ' HD12 ' A' ' 76' ' ' ILE . 14.2 m -134.73 106.83 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.371 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.513 HG21 HG13 ' A' ' 104' ' ' VAL . 2.3 mp -79.01 110.47 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -111.67 143.18 42.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -91.14 125.54 35.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 74' ' ' GLU . 4.7 mp -107.15 127.36 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.2 153.45 23.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -66.76 -9.04 32.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -156.73 153.74 25.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 52.16 2.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -178.11 -50.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -54.6 147.59 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.53 54.42 1.69 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.427 ' O ' ' CE1' ' A' ' 71' ' ' PHE . . . -120.73 -59.78 0.24 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -49.7 135.4 19.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 0.762 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 6.7 m-85 -99.56 86.37 3.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG22 ' SD ' ' A' ' 93' ' ' MET . 57.8 t -135.38 133.88 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -143.78 155.41 44.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' N ' ' CD1' ' A' ' 61' ' ' ILE . 0.5 OUTLIER -127.97 139.82 52.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.4 mt -99.59 117.47 44.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 57' ' ' THR . 2.7 mp -94.94 134.54 24.67 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.98 -172.75 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 54.95 2.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.44 73.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.98 77.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -148.63 -63.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.81 95.84 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 169.08 156.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -133.45 55.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 mtt -162.66 62.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.53 88.22 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 pm0 -125.24 61.73 1.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 110.248 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -115.4 117.67 31.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 91.2 p -121.35 -172.45 2.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.6 OUTLIER -108.46 91.09 3.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.508 HG12 ' CH2' ' A' ' 24' ' ' TRP . 71.0 t -76.67 99.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -107.12 144.58 33.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 26.8 ttp -130.69 140.29 50.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.62 156.17 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 p -81.34 -42.42 20.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 93.5 p -117.32 156.24 28.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 46.4 tt0 -68.78 -49.78 55.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.44 -30.29 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -78.45 -50.68 11.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.464 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.6 ttp -61.75 -34.93 76.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.23 -43.69 90.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.41 -57.71 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.53 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 33.2 m95 -45.61 -61.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 108.02 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 58' ' ' ILE . 60.2 t -49.95 -51.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -46.74 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.478 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 30.6 m-85 -54.13 -52.0 62.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.469 HD12 ' C ' ' A' ' 103' ' ' TRP . 10.1 mt -52.16 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 112' ' ' GLY . 0.0 OUTLIER -50.5 -45.08 56.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -47.86 -67.8 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 53' ' ' LEU . 88.0 t -54.17 -52.66 35.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.19 -27.4 8.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -68.95 -74.69 0.59 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.3 m -68.77 111.2 4.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -120.99 172.61 15.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.73 4.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.18 127.88 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.14 116.24 5.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 m 61.82 150.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -135.65 -53.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.7 77.99 1.26 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 110.939 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t 71.57 88.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -49.83 123.89 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.32 -171.24 29.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.117 . . . . 0.0 110.951 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HA ' ' CG ' ' A' ' 32' ' ' ARG . 18.1 Cg_endo -75.01 179.13 6.39 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.433 1.754 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 15.9 mt -116.15 -62.27 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 7.8 tmtm? -128.56 129.64 46.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.463 ' HG2' HG13 ' A' ' 30' ' ' VAL . 2.3 mtm -129.7 154.56 47.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.53 161.36 21.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -91.57 112.58 24.56 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 17.4 mt -111.01 156.51 21.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CD ' ' HB3' ' A' ' 24' ' ' TRP . 2.9 mtmt -97.22 108.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 47.9 tttp -100.34 128.04 46.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 146.23 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' HB3' HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -84.01 177.95 8.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.442 ' O ' HG12 ' A' ' 21' ' ' VAL . 3.7 m -81.08 134.17 35.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.6 mt 66.86 -80.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.578 HG13 ' HB3' ' A' ' 18' ' ' ARG . 3.5 p -49.64 145.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.53 68.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -120.18 141.52 49.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 91.3 m95 -94.37 127.51 40.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 107.966 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -111.66 117.45 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.86 100.62 4.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmt-85 -116.77 160.13 21.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -92.12 102.39 14.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' A' ' 36' ' ' LEU . 17.8 m-85 -88.74 141.44 28.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG13 ' HG2' ' A' ' 11' ' ' MET . 69.4 t -135.87 139.01 46.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.3 OUTLIER -105.99 121.87 44.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' CG ' ' HA ' ' A' ' 8' ' ' PRO . 4.4 mtp-105 -142.81 129.16 19.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 56.67 -140.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -101.75 30.91 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -138.81 138.61 37.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 37' ' ' TYR . 1.9 tm? -99.78 130.3 45.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.736 ' N ' HD13 ' A' ' 36' ' ' LEU . 24.1 m-85 -122.67 161.91 22.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -153.54 132.45 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 9.1 m-85 -118.32 168.9 10.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -78.83 -43.89 24.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -137.05 174.11 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 47.03 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.39 -53.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.9 154.72 6.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.8 t -113.39 7.37 17.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.365 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.5 tttp -115.96 133.53 22.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.2 Cg_endo -74.99 151.91 40.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.553 1.817 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.497 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 15.1 mm100 -92.42 -46.18 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.329 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -124.98 166.7 17.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.9 t -149.24 115.9 5.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.492 ' HE2' ' HB2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -116.76 123.33 46.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.947 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.1 t80 -69.81 104.64 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.636 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 10.1 mt -57.08 -43.84 99.5 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.07 78.2 2.97 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.46 1.768 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 132.65 43.42 0.16 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.483 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 15.5 m -131.57 173.47 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.548 HG22 ' CG ' ' A' ' 59' ' ' LYS . 2.0 m -134.44 103.95 5.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.515 HG21 HG13 ' A' ' 104' ' ' VAL . 2.4 mp -81.44 102.08 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' CG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -105.72 146.25 30.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -99.35 98.96 9.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 61' ' ' ILE . 5.8 mm -73.53 138.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.59 151.52 22.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 64' ' ' ASN . 91.5 m -86.64 -121.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' H ' HG22 ' A' ' 63' ' ' THR . 1.0 OUTLIER -46.34 169.63 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' GLU . 18.6 Cg_endo -74.95 133.07 16.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER 38.94 55.56 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.15 -175.12 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.6 46.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.69 -156.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -170.09 33.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 4.1 m-85 49.33 59.73 4.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG22 ' SD ' ' A' ' 93' ' ' MET . 19.8 t -124.02 128.2 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -143.11 136.47 28.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -110.58 139.05 46.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 23.5 mt -99.4 117.17 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.5 HD12 ' HG3' ' A' ' 59' ' ' LYS . 3.3 mt -97.45 123.12 53.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.483 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.3 Cg_endo -74.98 171.07 19.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.545 1.813 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -71.27 166.43 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.9 m 50.03 87.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 175.41 71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -134.82 98.42 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 172.97 120.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -91.52 82.8 5.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 176.33 96.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 50.3 mtp 63.49 86.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 150.3 -126.37 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.03 83.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -120.67 165.41 15.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.409 ' CB ' HG13 ' A' ' 76' ' ' ILE . 12.9 p 179.8 172.63 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.514 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -101.15 91.51 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.545 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 71.3 t -75.19 101.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.359 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.0 mt -110.56 135.35 51.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.567 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 31.6 ttp -126.12 129.95 50.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.589 ' HB3' ' HB2' ' A' ' 100' ' ' MET . . . -99.92 158.29 15.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -56.63 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.8 p -103.75 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 44.6 tt0 -94.96 -36.21 11.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.96 -27.77 69.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.31 -42.63 30.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.589 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 27.7 ttp -70.36 -32.57 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.9 -45.07 71.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -61.23 -47.56 85.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 26.6 m95 -58.49 -67.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.015 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.515 HG13 HG21 ' A' ' 58' ' ' ILE . 65.3 t -42.94 -50.72 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.17 -64.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CD2' ' HB2' ' A' ' 10' ' ' LYS . 12.2 m-85 -54.86 -54.28 44.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.83 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 104' ' ' VAL . 37.2 mtt180 -48.75 -43.5 37.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -54.26 -56.45 18.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.561 HG11 HD12 ' A' ' 53' ' ' LEU . 36.2 t -63.96 -51.48 68.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.11 -22.9 4.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.06 101.03 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.8 t -142.77 120.25 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.75 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -93.57 171.58 32.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 43.8 t -157.24 139.28 14.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 p -138.61 148.78 44.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.013 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 p -150.37 153.58 36.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.747 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.86 138.8 34.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.22 92.66 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 p -110.87 128.73 55.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.757 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.54 111.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.24 173.58 17.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HG2' ' CE ' ' A' ' 11' ' ' MET . 18.3 Cg_endo -75.02 -166.57 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.562 1.822 . . . . 0.0 111.02 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.5 mt -109.71 -47.66 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' HG3' ' CE2' ' A' ' 106' ' ' PHE . 5.4 tmtm? -146.58 120.72 9.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -113.73 147.3 38.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.61 158.75 20.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -88.37 129.43 35.41 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD11 ' CD1' ' A' ' 103' ' ' TRP . 27.3 mt -129.71 157.7 41.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.32 108.7 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -100.88 130.9 46.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -72.35 138.97 47.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.468 HH22 ' NE2' ' A' ' 25' ' ' GLN . 40.0 mtt-85 -54.32 -174.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.26 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.7 mt -133.84 58.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -142.76 153.41 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.74 37.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -114.17 167.03 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.657 ' CZ3' HG12 ' A' ' 91' ' ' VAL . 77.1 m95 -127.55 133.75 49.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' HH22 ' A' ' 18' ' ' ARG . 4.7 mm-40 -114.44 117.05 29.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -79.44 97.91 6.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -110.96 176.16 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -101.06 102.69 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.1 m-85 -88.65 143.27 27.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 8' ' ' PRO . 37.3 t -138.27 144.66 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD12 ' HZ3' ' A' ' 103' ' ' TRP . 0.2 OUTLIER -110.81 125.75 53.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -141.14 128.22 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.01 -141.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.595 1.184 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -97.17 52.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -158.36 145.84 18.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 110.333 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.791 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -107.81 129.67 55.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.578 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.5 m-85 -124.65 165.7 17.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 111.06 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -159.57 127.05 4.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -110.62 162.58 14.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -66.16 -38.45 88.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -155.2 176.71 12.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.84 41.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.33 32.67 2.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.56 -179.2 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.7 p -131.97 -48.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.354 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 24.0 tptt -76.25 132.55 73.08 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 18.3 Cg_endo -75.02 153.49 41.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.556 1.819 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -86.4 -55.39 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -121.01 160.57 15.29 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.3 p -141.8 117.6 10.46 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -112.89 136.86 52.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -82.71 106.36 14.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.791 HD21 ' HB2' ' A' ' 36' ' ' LEU . 29.7 mt -61.66 -43.89 89.62 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 54.46 3.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.538 1.81 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.64 43.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -132.28 161.69 32.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.542 HG22 ' HD3' ' A' ' 59' ' ' LYS . 1.9 m -121.98 116.13 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.56 108.55 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' NZ ' HD11 ' A' ' 76' ' ' ILE . 2.8 mtpm? -117.7 143.94 45.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -88.94 86.1 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 HD13 ' N ' ' A' ' 61' ' ' ILE . 4.7 mm -68.32 150.48 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.31 153.18 19.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 63' ' ' THR . 2.0 m -76.2 55.66 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 63' ' ' THR . 1.7 m-20 160.85 168.23 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -0.4 9.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.481 1.779 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.48 76.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -145.52 -172.46 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -176.76 144.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.81 -62.29 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 111.036 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -46.19 132.7 9.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 16.9 m-85 -77.9 84.47 4.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.535 HG22 ' SD ' ' A' ' 93' ' ' MET . 96.4 t -131.64 134.94 59.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -145.66 137.59 25.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 2.7 pt-20 -117.1 145.28 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 92' ' ' LEU . 1.7 mt -107.71 131.27 58.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.565 HD11 ' NZ ' ' A' ' 59' ' ' LYS . 2.7 mp -111.03 129.73 23.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.526 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 18.2 Cg_endo -75.01 94.49 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 79' ' ' SER . . . 36.61 78.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.455 ' O ' ' O ' ' A' ' 78' ' ' ALA . 1.0 OUTLIER 39.71 94.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.526 ' CE2' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -57.54 -165.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 108.001 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -160.92 169.99 21.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.51 171.73 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 64.29 57.76 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.424 ' C ' ' CG ' ' A' ' 85' ' ' MET . 0.0 OUTLIER 62.92 89.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.424 ' CG ' ' C ' ' A' ' 84' ' ' ARG . 0.2 OUTLIER 35.13 62.68 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 59.13 156.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -179.53 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.517 ' HB3' ' CD1' ' A' ' 80' ' ' TRP . 12.1 t0 -41.37 155.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.426 ' CB ' HG13 ' A' ' 76' ' ' ILE . 13.5 p 172.78 165.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.986 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 m-30 -85.83 90.79 8.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.657 HG12 ' CZ3' ' A' ' 24' ' ' TRP . 99.3 t -76.41 100.69 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.525 HD12 HD11 ' A' ' 75' ' ' ILE . 14.7 mt -109.19 141.93 40.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.535 ' SD ' HG22 ' A' ' 72' ' ' VAL . 21.1 ttp -132.2 139.98 48.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.61 162.35 15.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.9 t -80.94 -48.71 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.1 m -114.73 169.26 9.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 57.1 tt0 -75.98 -47.0 26.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.09 -28.92 11.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -76.59 -50.66 13.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.597 ' SD ' HG21 ' A' ' 104' ' ' VAL . 16.0 tmm? -61.29 -38.92 88.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.47 -41.27 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -63.93 -55.96 18.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.674 ' CD1' HD11 ' A' ' 14' ' ' LEU . 30.7 m95 -54.48 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 108.041 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG21 ' SD ' ' A' ' 100' ' ' MET . 41.1 t -42.81 -50.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -47.39 -64.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 10' ' ' LYS . 28.8 m-85 -54.14 -49.98 67.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.13 -69.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 112' ' ' GLY . 5.8 mtt-85 -50.11 -43.78 51.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.0 -70.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.602 HG11 HD12 ' A' ' 53' ' ' LEU . 76.1 t -50.53 -53.28 13.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -51.34 -31.81 23.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -98.87 -95.47 2.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.21 162.35 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -179.33 -170.28 40.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.4 t -160.8 97.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.999 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.8 m -89.35 135.81 33.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.118 . . . . 0.0 111.026 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m 57.29 78.46 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.75 . . . . 0.0 110.035 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m -129.32 159.18 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.62 169.37 26.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -142.49 -56.37 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.97 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -161.11 161.82 31.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.53 -171.06 31.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 32' ' ' ARG . 18.4 Cg_endo -74.99 176.04 10.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.85 -39.59 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HE2' ' CG ' ' A' ' 102' ' ' GLU . 2.5 tttp -142.7 139.4 31.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.461 ' HG3' HG13 ' A' ' 30' ' ' VAL . 3.7 mpp? -145.4 152.08 39.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.88 169.94 35.26 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -92.93 111.3 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 94' ' ' ALA . 11.1 mt -112.72 151.53 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -93.65 113.45 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HE2' ' CZ ' ' A' ' 90' ' ' TYR . 19.5 tttm -104.06 125.89 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -57.17 122.39 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.247 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.649 ' HB3' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -53.57 169.59 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -45.28 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 mt -134.14 55.06 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -121.37 5.77 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 45.74 56.18 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' HB2' HG23 ' A' ' 21' ' ' VAL . 44.8 t30 -143.85 171.9 13.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.598 ' CD2' ' HE3' ' A' ' 93' ' ' MET . 86.7 m95 -118.91 129.65 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -112.66 115.11 28.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.83 101.92 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.36 163.02 15.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.21 100.1 11.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.702 ' HD2' HD11 ' A' ' 36' ' ' LEU . 13.7 m-85 -85.52 144.61 27.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 11' ' ' MET . 78.6 t -137.45 131.83 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -100.33 108.02 19.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 1.9 ttt180 -120.47 128.68 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 42.64 -143.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.343 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -90.13 57.35 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -164.4 151.43 11.47 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD11 ' HD2' ' A' ' 29' ' ' PHE . 3.1 tm? -116.96 128.27 55.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' N ' HD13 ' A' ' 36' ' ' LEU . 3.8 m-85 -124.02 172.83 8.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -158.66 136.16 10.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' O ' ' C ' ' A' ' 40' ' ' LYS . 56.0 m-85 -118.79 144.49 46.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' TYR . 18.3 mttm -39.14 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -89.44 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -174.94 38.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -124.5 -46.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.75 118.25 5.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' THR . 10.5 t -87.09 43.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -150.1 131.43 7.42 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HB2' ' CE1' ' A' ' 38' ' ' TYR . 29.8 mm-40 -66.34 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.242 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -109.65 168.17 13.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.557 1.16 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 p -150.48 126.01 10.21 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.03 121.87 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -68.98 105.79 2.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.697 HD21 ' HB2' ' A' ' 36' ' ' LEU . 16.0 mt -56.45 -43.93 99.52 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.96 81.48 2.19 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' O ' ' HB2' ' A' ' 78' ' ' ALA . . . 128.54 41.31 0.27 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.477 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 10.3 m -130.68 170.08 14.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.658 HG22 ' HD2' ' A' ' 59' ' ' LYS . 38.6 m -131.95 111.31 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.38 118.85 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.658 ' HD2' HG22 ' A' ' 57' ' ' THR . 0.1 OUTLIER -126.08 148.92 49.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -93.64 80.19 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.643 HD13 ' N ' ' A' ' 61' ' ' ILE . 2.0 mm -67.98 133.3 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -86.25 147.45 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 m -72.56 -3.82 26.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 67' ' ' GLU . 0.9 OUTLIER -160.46 168.22 12.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -23.72 13.55 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -148.23 75.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 64' ' ' ASN . 70.0 mm-40 -145.29 -174.72 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -94.5 121.87 36.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -40.8 112.76 0.37 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -95.64 52.3 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 97' ' ' GLN . 3.0 m-85 40.57 52.14 3.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 70' ' ' LYS . 57.3 t -114.92 129.29 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -147.98 141.06 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.83 ' OE2' HD11 ' A' ' 76' ' ' ILE . 1.2 pm0 -113.39 148.42 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.414 HD11 HD12 ' A' ' 92' ' ' LEU . 2.9 mt -114.13 128.47 71.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.83 HD11 ' OE2' ' A' ' 74' ' ' GLU . 2.7 mp -108.88 130.64 22.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.4 Cg_endo -75.03 160.04 40.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . -52.67 -33.77 48.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.02 118.61 36.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 76' ' ' ILE . 3.1 t90 -124.27 -67.5 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 107.95 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 59.05 -177.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.51 70.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -179.09 82.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 41.27 49.08 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.91 106.53 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 87' ' ' GLN . . . 91.12 -116.62 4.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.483 ' HA ' ' CD1' ' A' ' 80' ' ' TRP . 5.2 pt20 33.97 46.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 110.306 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -145.11 81.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.9 p -71.55 -166.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.465 ' CZ ' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.89 91.64 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.996 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG12 ' CH2' ' A' ' 24' ' ' TRP . 93.9 t -74.02 96.49 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.453 HD13 ' CE2' ' A' ' 29' ' ' PHE . 13.3 mt -104.66 143.36 33.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.598 ' HE3' ' CD2' ' A' ' 24' ' ' TRP . 1.3 ttm -134.27 130.96 37.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -99.19 161.39 13.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 33.39 3.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 175.16 150.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.052 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 1.4 tt0 -66.62 -44.07 83.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.71 -28.04 69.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -72.35 -45.55 59.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 100' ' ' MET . 12.0 tmm? -70.41 -42.86 71.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 110.983 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -57.89 -42.72 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 9.6 tp10 -61.96 -67.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.572 ' CZ3' HD12 ' A' ' 31' ' ' LEU . 45.4 m95 -44.15 -60.17 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.0 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 t -48.2 -58.04 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -40.07 -62.2 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -58.56 -48.62 80.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 44.5 mt -53.57 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -40.79 49.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -55.44 -63.4 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.531 HG11 HD12 ' A' ' 53' ' ' LEU . 74.3 t -55.79 -49.06 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -54.68 -29.65 53.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.26 -89.88 0.08 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.3 t -143.15 135.91 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 109.991 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -111.42 -178.0 20.28 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 56.19 4.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.93 167.72 29.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -151.29 83.19 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.08 88.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.34 103.52 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.12 176.69 21.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -60.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.6 p -177.77 137.96 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.69 -170.58 21.08 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.484 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 18.1 Cg_endo -75.01 -169.2 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 110.943 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.659 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 5.9 mt -115.94 -45.64 4.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 102' ' ' GLU . 4.5 tttp -135.43 124.81 24.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.71 123.19 38.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.69 -178.86 37.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 41' ' ' ASP . 14.2 m95 -107.46 134.89 49.84 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.5 mt -133.8 167.07 21.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -104.59 115.11 29.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tttm -104.82 122.27 45.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 24' ' ' TRP . 0.7 OUTLIER -53.76 136.51 39.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.621 ' CB ' HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -64.98 164.32 12.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.1 -82.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 mt -139.98 64.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.621 HG22 ' CB ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -136.18 12.06 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt 41.52 58.02 2.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.537 ' HB2' HG23 ' A' ' 21' ' ' VAL . 21.1 t30 -142.77 171.16 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.628 ' CD2' ' HE2' ' A' ' 93' ' ' MET . 79.0 m95 -121.33 133.44 55.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -117.07 117.42 29.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -68.89 103.92 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -119.67 165.21 14.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.458 ' CD2' ' NE1' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -92.4 115.0 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 11.3 m-85 -104.22 128.61 51.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -126.25 145.87 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -111.55 111.72 22.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -122.8 131.5 53.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.319 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' ARG . . . 40.04 -141.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -91.67 52.99 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 5.3 mt-30 -160.02 143.58 14.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -107.32 119.39 39.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.564 ' N ' HD13 ' A' ' 36' ' ' LEU . 19.8 m-85 -115.86 168.24 10.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.543 ' CZ ' ' CB ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -158.46 129.08 6.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 44' ' ' ASP . 87.2 m-85 -112.03 164.9 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -57.48 -78.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' HA ' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -109.11 -157.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -84.37 44.1 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' THR . 2.1 tt0 -123.77 48.73 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 10.8 p-10 -39.25 98.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' GLU . 12.7 t -133.21 -44.61 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -134.34 122.36 15.92 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.454 1.765 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.543 ' CB ' ' CZ ' ' A' ' 38' ' ' TYR . 22.2 mm-40 -43.56 -71.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -117.07 163.65 12.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.435 1.084 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.5 p -145.04 121.26 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 127.38 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' CZ ' ' HG2' ' A' ' 54' ' ' PRO . 1.2 t80 -72.91 106.86 5.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.649 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 18.2 mt -59.59 -43.32 95.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.05 60.75 5.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 147.57 44.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 0.5 OUTLIER -131.56 171.83 12.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -132.26 110.48 10.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.466 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.438 HD13 ' HD2' ' A' ' 108' ' ' ARG . 2.5 mp -87.14 102.33 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 76' ' ' ILE . 9.6 mtmt -102.51 119.25 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.99 107.51 11.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.431 ' N ' ' O ' ' A' ' 72' ' ' VAL . 15.0 mm -79.23 92.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.05 153.63 23.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.572 HG22 ' H ' ' A' ' 64' ' ' ASN . 60.0 m -89.53 175.96 7.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.572 ' H ' HG22 ' A' ' 63' ' ' THR . 1.3 t30 -40.62 159.55 0.15 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -29.17 8.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.23 35.9 2.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 -178.39 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.82 134.56 33.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -48.38 120.32 6.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 122.9 43.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.756 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 4.7 m-85 -82.43 95.52 7.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 61' ' ' ILE . 21.3 t -138.14 132.99 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.26 135.37 21.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 90' ' ' TYR . 3.2 pt-20 -112.94 142.9 45.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.17 128.95 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 59' ' ' LYS . 3.6 mt -112.11 123.48 34.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HA ' ' SG ' ' A' ' 56' ' ' CYS . 18.2 Cg_endo -75.01 153.46 41.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.91 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.3 p -57.26 97.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLN . 7.2 t90 -133.86 -50.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 107.964 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.23 80.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 80' ' ' TRP . 16.9 mm-40 -140.64 -58.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 69.27 23.05 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.36 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.62 16.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.2 ptm -151.33 173.94 13.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.16 110.95 0.75 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -112.18 55.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.35 105.49 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.459 ' CB ' HG13 ' A' ' 76' ' ' ILE . 18.8 p -62.06 171.7 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -90.63 90.54 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG12 ' CH2' ' A' ' 24' ' ' TRP . 58.5 t -74.83 100.14 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 14.2 mt -107.76 147.4 30.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.628 ' HE2' ' CD2' ' A' ' 24' ' ' TRP . 30.4 ttp -136.94 139.83 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.21 26.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.26 32.79 3.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -174.24 151.75 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 6.6 tt0 -73.08 -44.29 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.32 -23.58 66.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -44.38 49.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.418 ' SD ' ' C ' ' A' ' 100' ' ' MET . 12.4 tmm? -73.05 -39.18 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.41 -43.99 95.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HG2' ' NZ ' ' A' ' 10' ' ' LYS . 3.1 tp10 -63.97 -55.13 24.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.63 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.3 m95 -54.75 -57.73 10.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 107.956 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.8 t -53.86 -50.08 54.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 5.9 ttpp -41.2 -61.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.659 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 40.0 m-85 -63.39 -53.0 59.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 71.6 mt -43.1 -58.92 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.438 ' HD2' HD13 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -60.36 -55.23 36.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -39.52 -68.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.552 HG11 HD12 ' A' ' 53' ' ' LEU . 60.8 t -48.35 -54.3 4.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -49.59 -38.65 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 108' ' ' ARG . . . -91.2 42.34 2.85 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.13 146.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.04 -166.3 12.6 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 59.15 5.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.9 m -48.42 175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.6 m -138.45 91.75 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -138.06 134.02 34.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -137.17 -56.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.48 66.65 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -153.88 153.02 31.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 110.0 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.59 -51.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.04 173.94 49.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 173.57 14.29 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.645 ' CG2' ' CE1' ' A' ' 106' ' ' PHE . 2.8 mt -98.26 -58.17 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.582 ' HB2' ' CD2' ' A' ' 106' ' ' PHE . 3.1 tmtm? -124.65 137.88 54.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -144.97 138.87 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.11 172.12 45.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 13.3 m95 -95.3 129.05 42.58 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.673 HD11 ' CD1' ' A' ' 103' ' ' TRP . 18.4 mt -128.17 168.07 15.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.13 104.04 13.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -94.27 128.35 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -48.71 142.14 6.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -153.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 21' ' ' VAL . 95.0 p -140.02 100.4 3.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.1 mm 72.07 18.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' ASN . 4.1 t -122.45 -2.04 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.53 28.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.451 ' N ' ' C ' ' A' ' 21' ' ' VAL . 59.6 t30 -112.24 169.94 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.572 ' CZ3' ' HB2' ' A' ' 93' ' ' MET . 75.5 m95 -112.03 140.95 46.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -119.35 117.36 28.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -76.28 99.11 4.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.0 176.04 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 13' ' ' TRP . 1.4 t80 -104.78 111.35 24.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD2' HD11 ' A' ' 36' ' ' LEU . 19.8 m-85 -98.24 136.94 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.28 138.32 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' CZ3' ' A' ' 103' ' ' TRP . 0.4 OUTLIER -109.01 107.36 17.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -127.17 130.44 49.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.72 -141.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.53 52.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 6.3 mt-30 -159.13 136.89 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.4 tm? -99.83 127.59 45.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 35' ' ' GLN . 30.0 m-85 -122.56 165.17 16.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -158.38 126.32 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 7.8 m-85 -114.17 173.15 6.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -74.4 -41.17 61.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -150.58 172.74 15.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.84 43.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -121.34 -64.65 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -51.21 170.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 13.5 t -131.16 26.73 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.88 126.79 23.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.76 28.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -84.98 -47.36 10.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.33 160.84 24.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.453 1.096 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 14.0 p -139.64 128.09 22.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.64 119.1 32.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 54' ' ' PRO . 1.7 t80 -65.24 103.6 0.81 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.646 ' N ' ' CD ' ' A' ' 54' ' ' PRO . 9.8 mt -58.22 -43.94 98.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 60.09 5.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.769 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.36 44.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' SG ' ' HA ' ' A' ' 77' ' ' PRO . 1.4 m -131.95 173.9 10.72 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.0 m -134.17 112.5 11.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.8 mp -91.47 111.89 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 73' ' ' PHE . 7.0 mtmt -117.69 144.94 44.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -94.76 112.08 23.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.845 HD11 ' OE2' ' A' ' 74' ' ' GLU . 19.2 mm -76.75 122.47 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.09 153.17 18.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.142 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.45 HG22 ' H ' ' A' ' 64' ' ' ASN . 30.1 m -88.91 -126.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.45 ' H ' HG22 ' A' ' 63' ' ' THR . 0.5 OUTLIER -54.71 168.53 0.48 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.95 3.4 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -124.93 62.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -116.79 178.42 4.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.24 51.9 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.89 -176.76 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.89 157.67 29.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.778 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 97' ' ' GLN . 14.1 m-85 -98.22 67.21 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.957 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG22 ' HG3' ' A' ' 93' ' ' MET . 78.3 t -128.36 144.21 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 16.8 p90 -158.71 143.18 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.845 ' OE2' HD11 ' A' ' 61' ' ' ILE . 5.6 pm0 -116.85 149.24 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.29 121.13 63.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.6 mp -105.83 128.27 26.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 18.2 Cg_endo -75.04 155.47 42.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -41.73 -55.42 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.99 144.67 34.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.958 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 77' ' ' PRO . 9.6 t-105 -161.59 -53.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 108.042 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' TRP . 5.4 t0 -40.31 130.56 2.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 71.5 84.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -137.61 156.09 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.99 5.16 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -129.41 39.05 3.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 117.56 128.54 4.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -124.97 50.42 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.408 ' N ' ' HE1' ' A' ' 80' ' ' TRP . 5.4 m-20 -144.13 119.79 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.2 p -56.76 -163.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.155 . . . . 0.0 109.95 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -99.38 91.26 4.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.015 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.404 HG12 ' CH2' ' A' ' 24' ' ' TRP . 92.2 t -81.27 99.26 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' PHE . 14.1 mt -105.98 144.25 32.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.782 ' HG3' HG22 ' A' ' 72' ' ' VAL . 5.1 ttm -130.63 135.54 47.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.73 150.33 24.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -44.18 34.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.5 m -117.57 165.15 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 71' ' ' PHE . 61.2 tt0 -71.93 -53.41 13.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.97 -26.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.54 -48.65 18.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.613 ' SD ' HG21 ' A' ' 104' ' ' VAL . 19.1 tmm? -65.22 -41.89 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -57.24 -50.3 73.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -58.51 -49.91 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.673 ' CD1' HD11 ' A' ' 14' ' ' LEU . 36.0 m95 -57.27 -71.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 108.024 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.613 HG21 ' SD ' ' A' ' 100' ' ' MET . 54.5 t -40.49 -55.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.89 -63.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.645 ' CE1' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-85 -57.32 -56.2 24.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.7 mt -46.2 -66.98 0.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.36 -45.54 65.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -52.34 -66.2 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.538 HG11 HD12 ' A' ' 53' ' ' LEU . 54.0 t -51.73 -52.68 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 53' ' ' LEU . . . -54.99 -24.41 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -64.83 -56.21 17.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.83 96.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.976 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 174.57 -173.83 46.27 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 154.73 42.72 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.477 1.777 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 71.5 p -160.3 94.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.3 t -51.33 113.88 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 179.997 . . . . . . . . 0 0 . 1 stop_ save_